SCHEMBL3854740

SCHEMBL3854740

COc1ccc(-c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
PLA2G2A P14555 11/20 0.57
PLA2G1B P04054 1/20 0.56
MAPT P10636 2/20 0.55
PPARG P37231 5/20 0.55
TP53 P04637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL3855197 0.88 GRIK2 (0.64) TSHRMAPK1KMT2APLA2G2APLA2G1B
SCHEMBL3857137 0.86 PLA2G2A (0.61) TSHRMAPK1KMT2APLA2G2APLA2G1B
SCHEMBL3854712 0.84 PLA2G2A (0.55) KMT2APLA2G2AMAPTPPARGALDH1A1
SCHEMBL3853126 0.83 MAPT (0.48) TSHRMAPK1KMT2APLA2G2APLA2G1B
SCHEMBL3853074 0.83 PLA2G2A (0.61) KMT2APLA2G2APLA2G1BMAPTPPARG
SCHEMBL3852753 0.83 PLA2G2A (0.53) PLA2G2APLA2G1BMAPTPPARGTP53
SCHEMBL3853483 0.78 PLA2G2A (0.49) KMT2APLA2G2APLA2G1BMAPTTP53
SCHEMBL3854484 0.78 PLK4 (0.43) KMT2APLA2G2AMAPTPPARGNPSR1
SCHEMBL3853542 0.78 GRIK2 (0.56) KMT2APLA2G2AMAPTTP53ALDH1A1
SCHEMBL10627225 0.77 MAPT (0.67) TSHRMAPK1KMT2APLA2G2APLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT TSHR 1667/4885MAPK1 3768/4885KMT2A 582/4885

“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.