SCHEMBL16632374

SCHEMBL16632374

O=Cc1ccc(Cl)cc1Oc1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.48
SLC6A4 P31645 1/20 0.48
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
JAK2 O60674 1/20 0.44
ZAP70 P43403 1/20 0.44
ERN1 O75460 1/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
TACR2 P21452 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL8409065 0.90 SLC6A4 (0.50) PTGER1SLC6A4CCNB2CDK1CDK4
SCHEMBL16632655 0.84 CCNB2 (0.59) PTGER1CCNB2CDK1CDK4CCNB1
SCHEMBL16632400 0.84 CCNB2 (0.47) PTGER1CCNB2CDK1CDK4CCNB1
SCHEMBL1119150 0.81 JAK2 (0.57) PTGER1SLC6A4CCNB2CDK1CDK4
SCHEMBL20535668 0.81 TACR2 (0.54) SLC6A4KMT2AL3MBTL1MRGPRX4TACR2
SCHEMBL18641925 0.78 SMN1; SMN2 (0.49) PTGER1SLC6A4CCNB2CDK1CDK4
SCHEMBL23709745 0.78 TDP1 (0.52) SLC6A4ERN1KMT2ATDP1CYP1A2
SCHEMBL8371569 0.78 KMT2A (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL433401 0.77 CCNB2 (0.72) PTGER1CCNB2CDK1CDK4CCNB1
SCHEMBL29537861 0.77 CCNB2 (0.72) PTGER1CCNB2CDK1CDK4CCNB1

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 PTGER1 2498/4885SLC6A4 4266/4885CCNB2 3282/4885

“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.