SCHEMBL16632655

SCHEMBL16632655

O=Cc1ccccc1Oc1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.59
CDK1 P06493 1/20 0.59
CDK4 P11802 1/20 0.59
CCNB1 P14635 1/20 0.59
CCND1 P24385 1/20 0.59
CCNB3 Q8WWL7 1/20 0.59
KMT2A Q03164 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
SRC P12931 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
PTGER1 P34995 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50

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
SCHEMBL29537861 0.90 CCNB2 (0.72) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL433401 0.90 CCNB2 (0.72) CCNB2CDK1CDK4CCNB1CCND1
Fluoride SCHEMBL27920182 0.88 CCNB2 (0.70) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL24631770 0.87 CCNB2 (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28184451 0.85 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL30134837 0.84 CCNB2 (0.47) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL24631388 0.84 CCNB2 (0.47) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL16632400 0.84 CCNB2 (0.47) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL24631587 0.84 CCNB2 (0.47) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL16632374 0.84 PTGER1 (0.48) CCNB2CDK1CDK4CCNB1CCND1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838889-B1 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-05-03 EP claimed
US-9265706-B2 Lichesterinic acid and the derivatives of same as pigmentation inhibitors Centre National de la Recherche Scientifique—CNRS (FR) 2016-02-23 US claimed
US-20150105459-A1 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS UNIVERSITE DE RENNES (FR) 2015-04-16 US claimed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-9265706-B2 Lichesterinic acid and the derivatives of same as pigmentation inhibitors Centre National de la Recherche Scientifique—CNRS (FR) 2016-02-23 US disclosed
US-20150105459-A1 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS UNIVERSITE DE RENNES (FR) 2015-04-16 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 (2 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-20150105459-A1 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS TYR, MITF, ALDH7A1 CCNB2 2719/4885CDK1 1114/4885CDK4 2775/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR CCNB2 3282/4885CDK1 2209/4885CDK4 1497/4885

“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.