SCHEMBL3854582

SCHEMBL3854582

COC(=O)COc1ccc(-c2cccc3c2c(C)c(-c2ccccc2)n3Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.49
FAAH O00519 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
ESR1 P03372 2/20 0.41
PLA2G1B P04054 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G5 P39877 1/20 0.41
PLA2G2E Q9NZK7 1/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3853093 0.91 PLA2G2A (0.49) PLA2G2APTGDR2ESR1PLA2G1BPLA2G10
SCHEMBL3860742 0.86 FAAH (0.51) FAAHPTGDR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3853145 0.84 SMN1; SMN2 (0.55) PLA2G2APTGDR2ESR1MAPTSMN1; SMN2
SCHEMBL3854951 0.81 ESR1 (0.46) PLA2G2AFAAHESR1PLA2G10MAPT
SCHEMBL3852008 0.81 ESR1 (0.51) PLA2G2AFAAHESR1
SCHEMBL3854607 0.81 ESR1 (0.43) PTGDR2ESR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3855188 0.80 ESR1 (0.44) PLA2G2APTGDR2ESR1MAPTALDH1A1
SCHEMBL3852458 0.76 FABP4 (0.53) PLA2G2APTGDR2PLA2G1BPLA2G10PLA2G5
SCHEMBL3854730 0.76 ESR1 (0.39) PTGDR2ESR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6795558 0.74 ESR1 (0.51) PLA2G2AESR1

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 PLA2G2A 3821/4885FAAH 792/4885PTGDR2 1104/4885

“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.