SCHEMBL16632340

SCHEMBL16632340

COC(=O)c1cc2c(Oc3ccccc3OCc3ccccc3)cc(C)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.54
SRD5A1 P18405 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
DHODH Q02127 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ULK1 O75385 1/20 0.41
XDH P47989 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 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
SCHEMBL16632427 0.88 SRD5A2 (0.53) SRD5A2SRD5A1NPC1RAB9APOLB
SCHEMBL16632523 0.88 SRD5A2 (0.67) SRD5A2SRD5A1NPC1RAB9APOLB
SCHEMBL16644670 0.85 HTT (0.44) NPC1RAB9APOLBALDH1A1TSHR
SCHEMBL6595625 0.83 SRD5A2 (0.77) SRD5A2SRD5A1NPC1RAB9APOLB
SCHEMBL3043331 0.82 SRD5A2 (0.55) SRD5A2SRD5A1NPC1RAB9ADHODH
SCHEMBL30024037 0.82 SRD5A2 (0.55) SRD5A2SRD5A1NPC1RAB9ADHODH
SCHEMBL3052997 0.82 SRD5A2 (0.70) SRD5A2SRD5A1NPC1RAB9ADHODH
SCHEMBL30954323 0.82 SRD5A2 (0.70) SRD5A2SRD5A1NPC1RAB9ADHODH
SCHEMBL7168633 0.81 SRD5A2 (0.56) SRD5A2SRD5A1NPC1RAB9APOLB
SCHEMBL16634402 0.80 RHEB (0.53) SRD5A2DHODHCTSVCTSL

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 1884/4885SRD5A1 2027/4885NPC1 489/4885

“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.