SCHEMBL16632563

SCHEMBL16632563

O=Cc1cc2c(Oc3ccccc3OCc3ccccc3)cc(Cl)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 8/20 0.45
SRD5A2 P31213 1/20 0.43
SLC6A4 P31645 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PLAU P00749 1/20 0.40
PTGER1 P34995 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL16632588 0.86 SRD5A2 (0.43) SRD5A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16632383 0.86 SRD5A2 (0.55) SRD5A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16634433 0.81 RHEB (0.70) RHEBSRD5A2SLC6A4PLAU
SCHEMBL20536122 0.80 RHEB (0.61) RHEBPLAU
SCHEMBL16632650 0.80 RHEB (0.45) RHEBSRD5A2SLC6A4PLAU
SCHEMBL16632427 0.78 SRD5A2 (0.53) RHEBSRD5A2NPC1RAB9ASMN1; SMN2
SCHEMBL29953511 0.77 L3MBTL1 (0.45) SRD5A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16632374 0.74 PTGER1 (0.48) SLC6A4NPC1MAPTRAB9AL3MBTL1
SCHEMBL23709592 0.71 RHEB (0.81) RHEBSRD5A2SLC6A4PLAU
SCHEMBL10735179 0.71 NPC1 (0.51) SLC6A4NPC1MAPTRAB9ASMN1; SMN2

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 RHEB 2503/4885SRD5A2 1884/4885SLC6A4 4266/4885

“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.