SCHEMBL16632588

SCHEMBL16632588

Cc1cc(Oc2ccccc2OCc2ccccc2)c2cc(C=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.43
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40
DHODH Q02127 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ERN1 O75460 1/20 0.36

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
SCHEMBL16632563 0.86 RHEB (0.45) SRD5A2MAPTL3MBTL1NPC1RAB9A
SCHEMBL16632383 0.86 SRD5A2 (0.55) SRD5A2MAPTL3MBTL1NPC1RAB9A
SCHEMBL16644666 0.84 L3MBTL1 (0.43) MAPTL3MBTL1NPC1RAB9ACTSV
SCHEMBL16634402 0.81 RHEB (0.53) SRD5A2MAPTL3MBTL1CTSVCTSL
SCHEMBL16632497 0.80 SRD5A2 (0.40) SRD5A2MAPTL3MBTL1SMN1; SMN2CTSV
SCHEMBL16632340 0.79 SRD5A2 (0.54) SRD5A2NPC1RAB9ACTSVCTSL
SCHEMBL29953511 0.77 L3MBTL1 (0.45) SRD5A2MAPTL3MBTL1NPC1RAB9A
SCHEMBL16632400 0.74 CCNB2 (0.47) MAPTL3MBTL1SMN1; SMN2MAPK1TDP1
SCHEMBL3052997 0.72 SRD5A2 (0.70) SRD5A2MAPTNPC1RAB9ACTSV
SCHEMBL30954323 0.72 SRD5A2 (0.70) SRD5A2MAPTNPC1RAB9ACTSV

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 1884/4885MAPT 1046/4885L3MBTL1 879/4885

“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.