SCHEMBL16632497

SCHEMBL16632497

Cc1cc(Oc2ccccc2OCc2ccccc2)c2cc(C#N)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ADRB2 P07550 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NSD2 O96028 1/20 0.38
AS3MT Q9HBK9 1/20 0.38
SGMS2 Q8NHU3 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
DHODH Q02127 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
IMPDH2 P12268 1/20 0.37

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
SCHEMBL16632650 0.86 RHEB (0.45) SRD5A2NSD2AS3MTSGMS2
SCHEMBL16632405 0.86 SRD5A2 (0.52) SRD5A2TDP1MAPTMAPK1L3MBTL1
SCHEMBL16634402 0.81 RHEB (0.53) SRD5A2TDP1MAPTMAPK1L3MBTL1
SCHEMBL9593980 0.80 SRD5A2 (0.60) SRD5A2TDP1MAPTMAPK1L3MBTL1
SCHEMBL16632588 0.80 SRD5A2 (0.43) SRD5A2TDP1MAPTMAPK1L3MBTL1
SCHEMBL16632340 0.77 SRD5A2 (0.54) SRD5A2ALDH1A1CTSVCTSLDHODH
SCHEMBL16632761 0.72 SRD5A2 (0.55) SRD5A2TDP1MAPTMAPK1L3MBTL1
SCHEMBL30954323 0.70 SRD5A2 (0.70) SRD5A2MAPTMAPK1CYP1A2CYP2C19
SCHEMBL3052997 0.70 SRD5A2 (0.70) SRD5A2MAPTMAPK1CYP1A2CYP2C19
SCHEMBL16640618 0.70 MAPK1 (0.39) TDP1MAPTMAPK1L3MBTL1CYP1A2

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR SRD5A2 1884/4885TDP1 548/4885MAPT 1046/4885

“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.