SCHEMBL4776330

SCHEMBL4776330

CC[C@H](C)COc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
GPR88 Q9GZN0 7/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
LMNA P02545 1/20 0.38
TLR8 Q9NR97 1/20 0.36
MCHR1 Q99705 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
MAPT P10636 1/20 0.35
NQO1 P15559 1/20 0.34
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL8072049 1.00 FFAR1 (0.46) FFAR1MAOAPTGS1GPR88GPBAR1
SCHEMBL385769 1.00 FFAR1 (0.46) FFAR1MAOAPTGS1GPR88GPBAR1
SCHEMBL6538984 0.85 GPR88 (0.41) GPR88
SCHEMBL5259492 0.82 MAOA (0.38) FFAR1MAOAPTGS1LMNASIGMAR1
SCHEMBL7369438 0.82 MAOA (0.38) FFAR1MAOAPTGS1LMNAMAPT
SCHEMBL3090326 0.82 MAOA (0.36) FFAR1MAOAPTGS1GPR88LMNA
SCHEMBL159889 0.81 MAPT (0.43) MAOAPTGS1LMNAMAPT
SCHEMBL1462725 0.81 TDP1 (0.42) FFAR1NQO1SIGMAR1
SCHEMBL15653500 0.80 CYP2C9 (0.41) FFAR1MAOAPTGS1GPR88LMNA
SCHEMBL10406354 0.79 TDP1 (0.39)

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
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
JP-2000248068-A ORGANIC SILICON HOMO- AND COPOLYMER HAVING CHIRAL SUBSTITUENT NIPPON TELEGR & TELEPH CORP <NTT> 2000-09-12 JP 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 FFAR1 3377/4885MAOA 618/4885PTGS1 1664/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 FFAR1 3912/4885MAOA 381/4885PTGS1 2708/4885

“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.