SCHEMBL1067931

SCHEMBL1067931

CC1(C)[C@@H]2C[CH][C@]1(C)CC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.33
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL26638 1.00 SIGMAR1 (0.33) SIGMAR1LMNAMAPTMEN1ALDH1A1
SCHEMBL2160342 1.00 SIGMAR1 (0.33) SIGMAR1LMNAMAPTMEN1ALDH1A1
SCHEMBL3649223 1.00 SIGMAR1 (0.33) SIGMAR1LMNAMAPTMEN1ALDH1A1
SCHEMBL5595562 1.00 SIGMAR1 (0.33) SIGMAR1LMNAMAPTMEN1ALDH1A1
SCHEMBL16442927 0.69 CTDSP1 (0.34) SIGMAR1LMNAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL25280948 0.65 SIGMAR1 (0.31) SIGMAR1
SCHEMBL4582773 0.60
SCHEMBL17048819 0.58
SCHEMBL494491 0.58
SCHEMBL1031219 0.58 CTDSP1 (0.50) SIGMAR1LMNAMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767286-B2 Phenylpropionate compound, preparation method for same, and applications thereof SUZHOU PHARMAVAN CO., LTD (CN) 2023-09-26 US claimed
CN-108084030-B Phenylpropanoid ester compound and preparation method and application thereof 苏州沪云新药研发股份有限公司 2021-08-31 CN claimed
CN-108047048-B Phenylpropanoate compound and preparation method and application thereof 苏州沪云肿瘤研究中心股份有限公司 2021-01-12 CN claimed
EP-3733640-A1 PHENYLPROPIONATE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF Suzhou Pharmavan Co., Ltd. (CN) 2020-11-04 EP claimed
US-20200331842-A1 PHENYLPROPIONATE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF SUZHOU PHARMAVAN CO., LTD (CN) 2020-10-22 US claimed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 US claimed
US-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 US claimed
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
EP-2280965-B1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2012-08-29 EP claimed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US claimed
EP-2207766-A1 NOVEL SULFAMATE COMPOUNDS FOR MEDICAL USE Abbott Products GmbH (DE) 2010-07-21 EP claimed
EP-2203427-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS Abbott Healthcare Products B.V. (NL) 2010-07-07 EP claimed
US-7579335-B2 Androstane 17α-carbonate derivatives for use in the treatment of allergic and inflammatory conditions GLAXO GROUP LIMITED (GB) 2009-08-25 US claimed
US-20090104126-A1 Sulfamate Compounds and Uses Thereof SOLVAY PHARMACEUTICALS GMBH (DE) 2009-04-23 US claimed
WO-2009050252-A1 NOVEL SULFAMATE COMPOUNDS FOR MEDICAL USE SOLVAY PHARMACEUTICALS GMBH (DE) 2009-04-23 WO claimed
WO-2009037244-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2009-03-26 WO claimed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 US claimed
US-20080182831-A1 Androstane 17-Alpha Carbonate Derivatives for Use in the Treatment of Allergic and Inflammatory Conditions GLAXO GROUP LIMITED 2008-07-31 US claimed
EP-1841780-A2 ANDROSTANE 17-ALPHA-CARBONATE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC AND INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2007-10-10 EP claimed
WO-2006072599-A2 ANDROSTANE 17-ALPHA CARBONATE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC AND INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2006-07-13 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-11767286-B2 Phenylpropionate compound, preparation method for same, and applications thereof PLAT, TFPI, PF4 SIGMAR1 3060/4885LMNA 2705/4885MAPT 44/4885
US-20080182831-A1 Androstane 17-Alpha Carbonate Derivatives for Use in the Treatment of Allergic and Inflammatory Conditions CYP11B1, CYP17A1, HSD3B1 SIGMAR1 1006/4885LMNA 2267/4885MAPT 2852/4885
US-20200331842-A1 PHENYLPROPIONATE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF PLAT, TFPI, PF4 SIGMAR1 3060/4885LMNA 2705/4885MAPT 44/4885
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS CNR1, CNR2, HTR5A SIGMAR1 233/4885LMNA 4219/4885MAPT 3215/4885
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 SIGMAR1 1373/4885LMNA 4851/4885MAPT 1317/4885
US-20090104126-A1 Sulfamate Compounds and Uses Thereof SULT1A1, SULT1E1, SULT2A1 SIGMAR1 1699/4885LMNA 3434/4885MAPT 3305/4885
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH2 SIGMAR1 1373/4885LMNA 4851/4885MAPT 1317/4885

“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.