SCHEMBL8771689

SCHEMBL8771689

COC(=O)c1ccc2c(c1)C(c1ccccc1)=CC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.49
PTGS2 P35354 1/20 0.48
EGFR P00533 1/20 0.47
PTPRC P08575 1/20 0.45
PTPRF P10586 1/20 0.45
PTPN1 P18031 1/20 0.45
CDC25B P30305 1/20 0.45
RARA P10276 3/20 0.44
RARB P10826 3/20 0.44
RARG P13631 3/20 0.44
TSHR P16473 1/20 0.44
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
RXRA P19793 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL8771636 0.88 RARA (0.58) PTPN1RARARARBRARGRAB9A
SCHEMBL8771880 0.88 RARA (0.55) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL8771890 0.88 RARA (0.55) EGFRPTPRCPTPRFPTPN1CDC25B
SCHEMBL17275573 0.86 RARB (0.50) PDK2PTPRCRARARARBRARG
SCHEMBL8771705 0.86 PTPN1 (0.55) PTPN1RARARARBRARGRAB9A
SCHEMBL8771810 0.83 KMT2A (0.48) KCNH2RAB9AMAPTL3MBTL1MEN1
SCHEMBL12365355 0.81 RARB (0.67) RARARARBRARGRXRANR2E1
SCHEMBL17276216 0.80 PDK2 (0.55) PDK2PTPRCPTPRFPTPN1CDC25B
SCHEMBL4653413 0.79 RARA (0.71) RARARARBRARGTSHRRXRA
SCHEMBL18653902 0.79 CA1 (0.49) PDK2PTPRCMAPTCASP3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 US disclosed
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 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
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 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 (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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 PDK2 1684/4885PTGS2 1317/4885EGFR 2862/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 PDK2 1684/4885PTGS2 1317/4885EGFR 2862/4885

“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.