SCHEMBL3359435

SCHEMBL3359435

O=C(O)[C@@H]1CC1c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.70
HDAC4 P56524 1/20 0.66
ALDH1A1 P00352 2/20 0.63
SLC9A1 P19634 1/20 0.59
HPGD P15428 1/20 0.56
DEGS1 O15121 1/20 0.54
NAMPT P43490 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51

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
SCHEMBL323824 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL5315326 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL1172743 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL2034678 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL8295172 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL5217474 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL323823 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL4126470 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
Hydrochloric Acid SCHEMBL5089207 0.98 FFAR1 (0.68) FFAR1HDAC4ALDH1A1SLC9A1HPGD
Hydrochloric Acid SCHEMBL5089203 0.98 FFAR1 (0.68) FFAR1HDAC4ALDH1A1SLC9A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290491-A Copper nanocluster and preparation method thereof 清华大学 2024-07-05 CN claimed
EP-2231611-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP claimed
WO-2009074593-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO claimed
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2024-07-18 US disclosed
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2024-07-18 US disclosed
CN-118290491-A Copper nanocluster and preparation method thereof 清华大学 2024-07-05 CN disclosed
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 US disclosed
WO-2017066103-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2017-04-20 WO disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US disclosed
US-6620849-B2 Bicyclic sulfanimde compounds useful for the treatment of cardiac arrhythmias ICAFEN, INC. 2003-09-16 US disclosed
US-20020169161-A1 Potassium channel inhibitors ICAGEN, INC. 2002-11-14 US disclosed
US-6172091-B1 METABOLIC CALCIUM IMBALANCE AND OSTEOPOROSIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-01-09 US disclosed
WO-2000021910-A2 1,2-DISUBSTITUTED CYCLOPROPANES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-20 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 (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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 FFAR1 553/4885HDAC4 18/4885ALDH1A1 1158/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 FFAR1 601/4885HDAC4 629/4885ALDH1A1 2826/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 FFAR1 553/4885HDAC4 18/4885ALDH1A1 1158/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA FFAR1 543/4885HDAC4 41/4885ALDH1A1 1386/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA FFAR1 3275/4885HDAC4 970/4885ALDH1A1 4198/4885
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, CTSA FFAR1 543/4885HDAC4 41/4885ALDH1A1 1386/4885
US-20020169161-A1 Potassium channel inhibitors KCNN2, KCNH2, KCNJ2 FFAR1 3392/4885HDAC4 1131/4885ALDH1A1 4168/4885

“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.