SCHEMBL683593

SCHEMBL683593

COc1cccc(C(C)C)c1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LPAR1 Q92633 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
CYP1A2 P05177 2/20 0.43

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
SCHEMBL5548772 0.86 GABRA1 (0.50) SMN1; SMN2LPAR1MEN1KMT2AALDH1A1
SCHEMBL6441557 0.86 SMN1; SMN2 (0.42) NFE2L2SMN1; SMN2LPAR1MEN1KMT2A
SCHEMBL16958800 0.83 SMN1; SMN2 (0.44) NFE2L2SMN1; SMN2MEN1KMT2AATM
SCHEMBL4100987 0.83 SMN1; SMN2 (0.44) NFE2L2SMN1; SMN2MEN1KMT2AATM
SCHEMBL27661726 0.83 SMN1; SMN2 (0.44) NFE2L2SMN1; SMN2MEN1KMT2AATM
SCHEMBL15750738 0.83 SMN1; SMN2 (0.44) NFE2L2SMN1; SMN2MEN1KMT2AATM
SCHEMBL2252742 0.83 SMN1; SMN2 (0.44) NFE2L2SMN1; SMN2MEN1KMT2AATM
SCHEMBL12331440 0.83 SMN1; SMN2 (0.44) NFE2L2SMN1; SMN2MEN1KMT2AATM
SCHEMBL670715 0.83 MEN1 (0.49) NFE2L2SMN1; SMN2MEN1KMT2AATM
SCHEMBL3979394 0.83 SMN1; SMN2 (0.44) NFE2L2SMN1; SMN2MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715680-A The method for preparing high-cis -1,4- polydiene with the carbon monoxide-olefin polymeric based on lanthanide series 株式会社普利司通 2019-05-03 CN claimed
CN-104744243-B (E)-2-phenyl-3-(3,5-dimethoxy-4 '-isopropyl benzene) purification method of propenoic acid HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-06 CN claimed
EP-1177190-B1 USE OF SELECTIVE ANTAGONISTS OF THE ALPHA 1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI CHEM PHARM (IT) 2005-11-02 EP claimed
JP-2002544158-A 2002-12-24 JP claimed
US-20020161009-A1 Use of selective antagonists of the alpha1b-adrenergic receptor for improvement of sexual dysfunction RECORDATI S.A. 2002-10-31 US claimed
EP-1177190-A2 USE OF SELECTIVE ANTAGONISTS OF THE ALPHA 1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-02-06 EP claimed
US-6303606-B1 FOR THERAPY OF SEXUAL DISORDERS RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-10-16 US claimed
WO-2000067735-A2 USE OF SELECTIVE ANTAGONISTS OF THE α1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2000-11-16 WO claimed
US-11912736-B2 Diaryl trehalose compounds and uses thereof THE UNIVERSITY OF MONTANA (US) 2024-02-27 US disclosed
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-5780675-A NONCYTOTOXIC; SAPONIFICATION, CYCLIZATION, REDUCTION, REHYDRATION; CATALYTIC HYDROGENOLYSIS THE UNIVERSITY OF NEW MEXICO (US) 1998-07-14 US disclosed
EP-0310126-B1 DERIVATIVES OF PYROCATECHOL-CARBOXYLIC ACID, THEIR PREPARATION AND USE AS ACTIVE INGREDIENTS IN MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-08-18 EP disclosed
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
US-5025036-A Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-06-18 US disclosed
US-4937373-A Substituted naphthalene carboxylic acids HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US disclosed
EP-0310126-A2 Derivatives of pyrocatechol-carboxylic acid, their preparation and use as active ingredients in medicines F. HOFFMANN-LA ROCHE AG (CH) 1989-04-05 EP 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 (5 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-20020161009-A1 Use of selective antagonists of the alpha1b-adrenergic receptor for improvement of sexual dysfunction ADRA1B, ADRA2B, ADRB2 NFE2L2 3591/4885SMN1; SMN2 1423/4885LPAR1 621/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 NFE2L2 175/4885SMN1; SMN2 2387/4885LPAR1 3599/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 NFE2L2 1776/4885SMN1; SMN2 3640/4885LPAR1 3155/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 NFE2L2 1776/4885SMN1; SMN2 3640/4885LPAR1 3155/4885
US-11912736-B2 Diaryl trehalose compounds and uses thereof TREH, STT3B, DDOST NFE2L2 2654/4885SMN1; SMN2 3675/4885LPAR1 4148/4885

“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.