SCHEMBL16644668

SCHEMBL16644668

Cc1cc(Oc2ccccc2O)c2c(c1)cc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.35
NR1H3 Q13133 2/20 0.33
TERT O14746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL16632581 0.89 NR1H2 (0.40) NR1H2NR1H3MEN1KMT2ACA12
SCHEMBL16644676 0.83 NR1H2 (0.39) NR1H2MEN1KMT2A
SCHEMBL16632328 0.82 NR1H2 (0.40) NR1H2NR1H3CA12CA9
SCHEMBL16632776 0.81 ACLY (0.39) NR1H2TERTMEN1KMT2ASMARCA2
SCHEMBL7054387 0.77 NR1H2 (0.43) NR1H2NR1H3SMARCA2SMARCA4PBRM1
SCHEMBL15431762 0.75 BACE1 (0.43) NR1H2NR1H3CA12CA9HSD17B10
SCHEMBL16632686 0.74 NR1H2 (0.36) NR1H2NR1H3TERTMEN1KMT2A
SCHEMBL16632576 0.73 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL16632645 0.72 NR1H2 (0.40) NR1H2NR1H3CA12CA9
SCHEMBL5713778 0.70 NR1H2 (0.57) NR1H2NR1H3CA12CA9

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 NR1H2 1253/4885NR1H3 938/4885TERT 44/4885

“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.