SCHEMBL20282994

SCHEMBL20282994

Cc1ccc(C(C)C)c2c1C(=O)CO2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.38
MAPT P10636 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RECQL P46063 1/20 0.36
PARP1 P09874 1/20 0.32
PSMB5 P28074 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL19297124 0.83 MAPT (0.43) GPR55MAPTCRHBPCRHR2RECQL
SCHEMBL11189590 0.75 CES1 (0.36) PARP1PSMB5
SCHEMBL19297010 0.75 MAPT (0.44) GPR55MAPTCRHBPCRHR2RECQL
SCHEMBL3254152 0.73 GPR55 (0.41) GPR55MAPTCRHBPCRHR2RECQL
SCHEMBL14849268 0.72 NUAK1 (0.39) GPR55MAPTCRHBPCRHR2CNR2
SCHEMBL19297005 0.70 MAPT (0.43) MAPTCRHBPCRHR2
SCHEMBL19297001 0.70 GPR55 (0.36) GPR55MAPTCRHBPCRHR2RECQL
SCHEMBL19297004 0.69 MAPT (0.39) GPR55MAPTCRHBPCRHR2RECQL
SCHEMBL9606822 0.69 MAOA (0.41) GPR55MAPTCRHBPCRHR2CNR2
SCHEMBL6127869 0.68 MAPT (0.41) GPR55MAPTCRHBPCRHR2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 US disclosed
EP-3555065-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2021-02-24 EP disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 US disclosed
WO-2018111803-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 WO 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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA GPR55 140/4885MAPT 2717/4885CRHBP 1042/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA GPR55 167/4885MAPT 2077/4885CRHBP 500/4885

“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.