SCHEMBL16632523

SCHEMBL16632523

COC(=O)c1cc2c(Oc3ccccc3OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.67
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SRD5A1 P18405 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RCE1 Q9Y256 1/20 0.46
FLT3 P36888 2/20 0.46
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6595625 0.93 SRD5A2 (0.77) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL16632340 0.88 SRD5A2 (0.54) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL16632427 0.87 SRD5A2 (0.53) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL30396582 0.82 XDH (0.59) SRD5A2POLBNPC1RAB9AMEN1
SCHEMBL7168633 0.81 SRD5A2 (0.56) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL700753 0.81 SRD5A2 (0.73) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL6596446 0.81 SRD5A2 (0.55) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL7194638 0.81 SRD5A2 (0.55) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL3297410 0.81 SRD5A2 (0.55) SRD5A2POLBNPC1RAB9ASRD5A1
SCHEMBL4565770 0.81 SRD5A2 (0.55) SRD5A2POLBNPC1RAB9ASRD5A1

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 1884/4885POLB 8/4885NPC1 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.