SCHEMBL4653407

SCHEMBL4653407

CC1(C)C=C(c2ccccc2)c2cc(/C=C/c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.69
RARG P13631 13/20 0.69
RARA P10276 12/20 0.69
RXRA P19793 4/20 0.69
NR2E1 Q9Y466 1/20 0.69
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL4653408 1.00 RARB (0.69) RARBRARGRARARXRANR2E1
SCHEMBL8771880 0.88 RARA (0.55) RARBRARGRARARXRANR2E1
SCHEMBL8771890 0.88 RARA (0.55) RARBRARGRARARXRANR2E1
SCHEMBL17275573 0.86 RARB (0.50) RARBRARGRARARXRANR2E1
SCHEMBL29613352 0.81 RARA (1.00) RARBRARGRARARXRANR2E1
SCHEMBL6755036 0.81 RARA (1.00) RARBRARGRARARXRANR2E1
SCHEMBL6755033 0.81 RARA (1.00) RARBRARGRARARXRANR2E1
SCHEMBL4653505 0.80 RXRA (0.53) RARBRARGRARARXRANR2E1
SCHEMBL8771889 0.79 RARA (0.61) RARBRARGRARARXRANR2E1
SCHEMBL4653413 0.79 RARA (0.71) RARBRARGRARARXRANR2E1

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-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP claimed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US claimed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP claimed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC RARB 1581/4885RARG 733/4885RARA 1026/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR RARB 1212/4885RARG 842/4885RARA 701/4885

“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.