SCHEMBL16632680

SCHEMBL16632680

O=Cc1cccc(OCc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
CCNB2 O95067 2/20 0.54
CDK1 P06493 2/20 0.54
CDK4 P11802 2/20 0.54
CCNB1 P14635 2/20 0.54
CCND1 P24385 2/20 0.54
CCNB3 Q8WWL7 2/20 0.54
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
HTR1A P08908 2/20 0.46

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
SCHEMBL1050281 0.88 CCNB2 (0.59) KMT2ACCNB2CDK1CDK4CCNB1
SCHEMBL19612273 0.84 MAPT (0.58) LMNAMAOBL3MBTL1MAPTTDP1
SCHEMBL4294807 0.84 CCNB2 (0.55) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL411835 0.82 HTR1A (0.56) KMT2ALMNAGAACCNB2CDK1
SCHEMBL28877513 0.81 CCNB2 (0.53) KMT2ALMNAGAACCNB2CDK1
SCHEMBL29537861 0.81 CCNB2 (0.72) KMT2ALMNAGAACCNB2CDK1
SCHEMBL433401 0.81 CCNB2 (0.72) KMT2ALMNAGAACCNB2CDK1
SCHEMBL8305004 0.80 CCNB2 (0.58) KMT2ALMNAGAACCNB2CDK1
Fluoride SCHEMBL27920182 0.79 CCNB2 (0.70) KMT2ALMNAGAACCNB2CDK1
SCHEMBL23290166 0.79 CCNB2 (0.50) KMT2ACCNB2CDK1CDK4CCNB1

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 KMT2A 1589/4885LMNA 3719/4885GAA 178/4885

“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.