SCHEMBL10198685

SCHEMBL10198685

CCCCNCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADH1B P00325 2/20 0.40
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH7 P40394 2/20 0.40
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
EPHX1 P07099 2/20 0.33
CYP1A2 P05177 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8417470 0.92 TSHR (0.60) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL8418522 0.90 TSHR (0.57) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL25887058 0.90 TSHR (0.57) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL17526606 0.90 TSHR (0.57) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL8521009 0.90 TSHR (0.57) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL8418749 0.90 TSHR (0.57) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL8416880 0.90 TSHR (0.57) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL8420290 0.90 TSHR (0.57) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL9419694 0.85 CYP2C19 (0.40) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL22308323 0.84 CYP2C19 (0.43) TSHRALDH1A1POLBSMN1; SMN2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365610-A1 Aryl Glucoside Derivative SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-11-16 US disclosed
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-10-19 US disclosed
US-20230235365-A1 ENGINEERED RETRONS AND METHODS OF USE RENAGADE THERAPEUTICS MANAGEMENT INC. (US) 2023-07-27 US disclosed
EP-3086792-B1 METHODS AND REAGENTS FOR RADIOLABELING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-10-12 EP disclosed
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-08-22 US disclosed
US-20190022247-A1 LIPIDS AND LIPID NANOPARTICLE FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS Acuitas Therapeutics, Inc. (CA) 2019-01-24 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed
EP-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 EP disclosed
EP-2646043-B1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC (US) 2017-02-15 EP disclosed
US-20110217636-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-09-08 US disclosed
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2010-04-29 US disclosed
US-7666880-B2 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2010-02-23 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 US disclosed
EP-1599167-B1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES HAVING AFFINITY FOR THE MELANOCORTIN RECEPTORS AND USE THEREOF AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2007-10-03 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL TSHR 4063/4885ALDH1A1 3602/4885POLB 1590/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R TSHR 64/4885ALDH1A1 2294/4885POLB 2937/4885
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 TSHR 3223/4885ALDH1A1 514/4885POLB 400/4885
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 TSHR 2186/4885ALDH1A1 237/4885POLB 810/4885
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF ALDH2, ALDH1A1, ALDH3A1 TSHR 3677/4885ALDH1A1 2/4885POLB 2089/4885
US-20190022247-A1 LIPIDS AND LIPID NANOPARTICLE FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS LPAR1, LPAR2, LMNA TSHR 1632/4885ALDH1A1 2355/4885POLB 267/4885
US-20230365610-A1 Aryl Glucoside Derivative SLC5A1, SLC5A2, SLC10A1 TSHR 2181/4885ALDH1A1 514/4885POLB 4575/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 TSHR 3563/4885ALDH1A1 1707/4885POLB 3727/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.