SCHEMBL16678271

SCHEMBL16678271

COC(=O)[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6901550 1.00 EPHX2 (0.44) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL30176889 0.87 MAPT (0.42) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL27758538 0.84 MAPT (0.40) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL8996550 0.81 MAPT (0.55) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL27522285 0.80 EPHX2 (0.41) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL6043241 0.79 EPHX2 (0.44) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL7158785 0.79 EPHX2 (0.44) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL31180746 0.79 EPHX2 (0.44) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL6831561 0.79 EPHX2 (0.44) EPHX2MAPTMAPK1KMT2AALDH1A1
SCHEMBL924280 0.79 EPHX2 (0.44) EPHX2MAPTMAPK1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981916-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2018-05-29 US disclosed
US-9981916-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2018-05-29 US disclosed
US-9981916-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2018-05-29 US disclosed
EP-3066082-B1 5,6,7,8-TETRAHYDRO-5,8-METHANOCINNOLINE DERIVATIVES AS RORC MODULATORS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2017-12-20 EP disclosed
EP-3066082-B1 5,6,7,8-TETRAHYDRO-5,8-METHANOCINNOLINE DERIVATIVES AS RORC MODULATORS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2017-12-20 EP disclosed
US-20150126491-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-05-07 US disclosed
US-20150126491-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-05-07 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 (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-20150126491-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA EPHX2 2855/4885MAPT 2112/4885MAPK1 206/4885

“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.