SCHEMBL16634402

SCHEMBL16634402

Cc1cc(Oc2ccccc2OCc2ccccc2)c2cc(CO)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 13/20 0.53
SRD5A2 P31213 1/20 0.44
DHODH Q02127 2/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSV O60911 1/20 0.38
CTSL P07711 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
SCHEMBL16634433 0.86 RHEB (0.70) RHEBSRD5A2
SCHEMBL16632330 0.85 RHEB (0.56) RHEBSRD5A2MAPTMAPK1TDP1
SCHEMBL16644675 0.84 RHEB (0.51) RHEBMAPTMAPK1L3MBTL1
SCHEMBL16632588 0.81 SRD5A2 (0.43) SRD5A2DHODHMAPTMAPK1TDP1
SCHEMBL16632497 0.81 SRD5A2 (0.40) SRD5A2DHODHMAPTMAPK1TDP1
SCHEMBL16632340 0.80 SRD5A2 (0.54) SRD5A2DHODHCTSVCTSL
SCHEMBL5772099 0.80 SRD5A2 (0.65) RHEBSRD5A2MAPTMAPK1TDP1
SCHEMBL23709592 0.77 RHEB (0.81) RHEBSRD5A2
SCHEMBL30954323 0.73 SRD5A2 (0.70) RHEBSRD5A2DHODHMAPTMAPK1
SCHEMBL3052997 0.73 SRD5A2 (0.70) RHEBSRD5A2DHODHMAPTMAPK1

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 1884/4885DHODH 192/4885

“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.