SCHEMBL3341864

SCHEMBL3341864

CN1CCC(C)(C)c2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.52
RARG P13631 11/20 0.52
RARA P10276 11/20 0.52
RXRA P19793 9/20 0.50
RXRB P28702 8/20 0.50
RXRG P48443 6/20 0.50
CYP26A1 O43174 2/20 0.50
CYP26B1 Q9NR63 1/20 0.50
HNF4A P41235 1/20 0.49
CYP3A4 P08684 1/20 0.47
CRABP2 P29373 1/20 0.47

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
SCHEMBL9145602 0.88 RARB (0.47) RARBRARGRARARXRARXRB
SCHEMBL8461952 0.86 RARA (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL8458559 0.85 RARB (0.68) RARBRARGRARARXRARXRB
SCHEMBL8458556 0.85 RARB (0.68) RARBRARGRARARXRARXRB
SCHEMBL9199277 0.78 RARB (0.50) RARBRARGRARARXRARXRB
SCHEMBL6575696 0.78 RARB (0.46) RARBRARGRARARXRARXRB
SCHEMBL14224180 0.78 RARB (0.49) RARBRARGRARARXRARXRB
SCHEMBL9198425 0.78 RARG (0.53) RARBRARGRARARXRARXRB
SCHEMBL8700476 0.78 RARB (0.58) RARBRARGRARARXRARXRB
SCHEMBL8522294 0.77 RARG (0.52) RARBRARGRARARXRARXRB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US claimed
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 US disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US disclosed
EP-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP disclosed
US-5420273-A Skin disorders and antitumor agents HOFFMAN-LA ROCHE INC. (US) 1995-05-30 US disclosed
US-5300522-A Treating inflammatory, allergic, rheumatic, immunological disorders HOFFMANN-LA ROCHE INC. (US) 1994-04-05 US disclosed
US-5164387-A Antitumor agents, skin disorders, antiinflammatory agents HOFFMANN-LAROCHE INC. (US) 1992-11-17 US disclosed
US-5037825-A Useful In The Treatment Of Neoplasms, Dermatoses And Aging Of The Skin HOFFMANN-LA ROCHE INC. (US) 1991-08-06 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 (2 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-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK RARB 4620/4885RARG 4694/4885RARA 4839/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 RARB 4437/4885RARG 4280/4885RARA 4552/4885

“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.