SCHEMBL8059930

SCHEMBL8059930

CCc1cc(C)ccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
AMY1A P0DUB6 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NQO1 P15559 1/20 0.35
POR P16435 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.33
SETDB1 Q15047 1/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SRC P12931 1/20 0.32

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
SCHEMBL16526930 0.81 MAPT (0.39) MAPTRXFP1TAAR1CYP1A2CYP2A6
SCHEMBL598593 0.79 TAAR1 (0.44) MAPTRXFP1TAAR1AMY1ACYP1A2
SCHEMBL30574669 0.79 TAAR1 (0.38) MAPTTAAR1AMY1ACYP1A2CYP2A6
SCHEMBL21768182 0.79 NPSR1 (0.43) MAPTTAAR1AMY1ACYP1A2CYP2A6
SCHEMBL12434751 0.79 TAAR1 (0.38) MAPTTAAR1AMY1ACYP1A2CYP2A6
SCHEMBL26586480 0.79 TAAR1 (0.38) TAAR1AMY1ACYP1A2CYP2A6PTGS2
SCHEMBL6036585 0.79 AMY1A (0.39) TAAR1AMY1ACYP1A2CYP2A6PTGS2
SCHEMBL14306964 0.79 NQO1 (0.38) MAPTRXFP1TAAR1AMY1ACYP1A2
SCHEMBL14306965 0.79 NQO1 (0.38) MAPTRXFP1CYP1A2CYP2A6KDM4E
SCHEMBL8645452 0.78 GABRA1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020212897-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-10-22 WO disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
WO-2009073779-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 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 (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-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 MAPT 2735/4885RXFP1 984/4885TAAR1 2733/4885

“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.