SCHEMBL3856953

SCHEMBL3856953

Cc1c(-c2ccccc2)n(C)c2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.52
ESR2 Q92731 5/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 3/20 0.46
CYP2C19 P33261 1/20 0.46
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
CYP11B2 P19099 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 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
SCHEMBL22023550 0.86 ESR1 (0.68) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL3853206 0.83 GRIK2 (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL3858264 0.80 ESR1 (0.56) ESR1ESR2
SCHEMBL3852354 0.80 PPARG (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL19052340 0.80 MEN1 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL3853352 0.79 ALDH1A1 (0.49) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL22005104 0.77 KDM4E (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL3852371 0.77 CYP11B2 (0.47) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL3855325 0.76 GRIK2 (0.44) ESR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL10067380 0.76 CYP11B2 (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA

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 ESR1 1756/4885ESR2 1103/4885ALDH1A1 423/4885

“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.