SCHEMBL16632427

SCHEMBL16632427

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.53
RHEB Q15382 8/20 0.51
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
SRD5A1 P18405 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.40
ULK1 O75385 1/20 0.40
XDH P47989 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
SCHEMBL16632340 0.88 SRD5A2 (0.54) SRD5A2IDO1TDO2SRD5A1NPC1
SCHEMBL16632523 0.87 SRD5A2 (0.67) SRD5A2IDO1SRD5A1NPC1RAB9A
SCHEMBL23709766 0.84 RHEB (0.64) SRD5A2RHEBHPGDLMNAKDM4E
SCHEMBL23709746 0.83 RHEB (0.59) RHEBULK1XDH
SCHEMBL20535865 0.82 RHEB (0.73) RHEBIDO1TDO2NPC1RAB9A
SCHEMBL6595625 0.82 SRD5A2 (0.77) SRD5A2IDO1SRD5A1NPC1RAB9A
SCHEMBL7168633 0.80 SRD5A2 (0.56) SRD5A2RHEBIDO1TDO2SRD5A1
SCHEMBL16634433 0.79 RHEB (0.70) SRD5A2RHEB
SCHEMBL7194638 0.79 SRD5A2 (0.55) SRD5A2IDO1SRD5A1NPC1RAB9A
SCHEMBL3297410 0.79 SRD5A2 (0.55) SRD5A2IDO1TDO2SRD5A1NPC1

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 1884/4885RHEB 2503/4885IDO1 1504/4885

“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.