SCHEMBL2849664

SCHEMBL2849664

COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
MAPT P10636 2/20 1.00
CYP3A4 P08684 3/20 0.72
ALDH1A1 P00352 2/20 0.72
TP53 P04637 2/20 0.72
HPGD P15428 2/20 0.72
HIF1A Q16665 2/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 1/20 0.72
HSD17B10 Q99714 1/20 0.72
KDM4E B2RXH2 1/20 0.72
ABCC4 O15439 1/20 0.72
HPGDS O60760 1/20 0.72
ABCB11 O95342 1/20 0.72

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
SCHEMBL2849668 1.00 TRPA1 (1.00) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL28980033 0.91 TRPA1 (0.84) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL8640680 0.88 NPC1 (0.79) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL8640672 0.88 NPC1 (0.79) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL2848732 0.86 TRPA1 (0.76) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL16215175 0.86 NPC1 (0.76) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL2848727 0.86 TRPA1 (0.76) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL294402 0.86 TRPM2 (0.83) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL294403 0.86 TRPM2 (0.83) TRPA1NPC1RAB9AMEN1KMT2A
SCHEMBL2781343 0.85 MEN1 (0.78) TRPA1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US claimed
WO-2006117602-A2 USE OF AMIDE DERIVATIVES AS TASTE-MODIFYING AGENTS, FLAVOURING COMPOSITIONS AND PRODUCTS CONTAINING THEM UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2006-11-09 WO claimed
US-11583535-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2023-02-21 US disclosed
US-20210244741-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2021-08-12 US disclosed
US-10786510-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2020-09-29 US disclosed
US-10695353-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2020-06-30 US disclosed
EP-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed
EP-2799427-B1 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
WO-2008131481-A1 TREATMENT OF MESANGIOPROLIFERATIVE DISEASES FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-11-06 WO disclosed
EP-1886662-A1 Anti-microbial compounds for treating bad breath Symrise GmbH & Co. KG (DE) 2008-02-13 EP disclosed
EP-1886662-A1 Anti-microbial compounds for treating bad breath Symrise GmbH & Co. KG (DE) 2008-02-13 EP disclosed
US-20080008660-A1 Antimicrobially active compounds for treating bad breath SYMRISE GMBH & CO. KG (DE) 2008-01-10 US disclosed
US-20080008660-A1 Antimicrobially active compounds for treating bad breath SYMRISE GMBH & CO. KG (DE) 2008-01-10 US disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO disclosed
WO-2006117602-A2 USE OF AMIDE DERIVATIVES AS TASTE-MODIFYING AGENTS, FLAVOURING COMPOSITIONS AND PRODUCTS CONTAINING THEM UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2006-11-09 WO disclosed
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US 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 (9 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-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPA1 1798/4885NPC1 4173/4885RAB9A 4497/4885
US-20210244741-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPA1 1798/4885NPC1 4173/4885RAB9A 4497/4885
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS NAAA, ELANE, APEH TRPA1 1639/4885NPC1 2632/4885RAB9A 1107/4885
US-10695353-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation VCAM1, PTGIS, NFKBIA TRPA1 1798/4885NPC1 4173/4885RAB9A 4497/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPA1 1798/4885NPC1 4173/4885RAB9A 4497/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPA1 1798/4885NPC1 4173/4885RAB9A 4497/4885
US-11583535-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation VCAM1, PTGIS, NFKBIA TRPA1 1798/4885NPC1 4173/4885RAB9A 4497/4885
US-20080008660-A1 Antimicrobially active compounds for treating bad breath CAT, LPO, GPX1 TRPA1 1224/4885NPC1 1532/4885RAB9A 2762/4885
US-10786510-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation VCAM1, PTGIS, NFKBIA TRPA1 1798/4885NPC1 4173/4885RAB9A 4497/4885

“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.