SCHEMBL481286

SCHEMBL481286

COc1ccc(OCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 6/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 5/20 0.47
GRM5 P41594 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PBRM1 Q86U86 1/20 0.43
APP P05067 5/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL28971808 0.94 ESR2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3357599 0.82 ALDH1A1 (0.46) ALDH1A1GAAKDM4EGRM5HPGD
SCHEMBL11553427 0.82 ALDH1A1 (0.50) ALDH1A1GAAKDM4EGRM5HPGD
SCHEMBL4110299 0.82 RAB9A (0.67) CA12CA1CA2CA9ALDH1A1
SCHEMBL8195567 0.79 MAOB (0.53) ALDH1A1GRM5MAOBAPPTSHR
SCHEMBL6574222 0.79 MAOB (0.53) CA12CA1CA2CA9CA14
SCHEMBL4476065 0.78 CYP2A6 (0.54) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1810628 0.78 GAA (0.58) CA12CA1CA2CA7CA9
SCHEMBL5211602 0.78 CA2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL5981846 0.77 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
US-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-16 US disclosed
US-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-16 US disclosed
US-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-16 US disclosed
CN-106232613-A Selectivity glucocorticoid receptor ligands 曼彻斯特大学 2016-12-14 CN disclosed
EP-3068790-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS The University Of Manchester (GB) 2016-09-21 EP disclosed
WO-2015071657-A9 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2016-09-15 WO disclosed
WO-2015071657-A9 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2016-09-15 WO disclosed
CN-103261176-B 1, 4-oxazepane derivatives TAKEDA PHARMACEUTICAL 2015-06-03 CN disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
EP-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed
US-5270465-A 4(3H)-pteridinone compounds LIPHA, LYONNAISE INDUSTRILLE PHARMACEUTIQUE (FR) 1993-12-14 US disclosed
EP-0399856-A1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-11-28 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 (1 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-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, NR5A1 CA12 4248/4885CA1 3421/4885CA2 4260/4885

“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.