SCHEMBL16632330

SCHEMBL16632330

OCc1cc2c(Oc3ccccc3OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 13/20 0.56
SRD5A2 P31213 1/20 0.56
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 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
SCHEMBL5772099 0.92 SRD5A2 (0.65) RHEBSRD5A2CTSVCTSLMAPT
SCHEMBL16634402 0.85 RHEB (0.53) RHEBSRD5A2CTSVCTSLMAPT
SCHEMBL16634433 0.85 RHEB (0.70) RHEBSRD5A2
SCHEMBL27408299 0.82 SRD5A2 (0.62) RHEBSRD5A2CTSVCTSLMAPT
SCHEMBL16632761 0.82 SRD5A2 (0.55) SRD5A2CTSVCTSLMAPTMAPK1
SCHEMBL23709715 0.81 RHEB (0.77) RHEB
SCHEMBL5768529 0.79 SRD5A2 (0.61) RHEBSRD5A2CTSVCTSLMAPT
SCHEMBL20536135 0.79 RHEB (0.76) RHEB
SCHEMBL20535838 0.79 RHEB (0.61) RHEBMAPT
SCHEMBL16632383 0.79 SRD5A2 (0.55) SRD5A2CTSVCTSLMAPTMAPK1

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 1884/4885CTSV 504/4885

“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.