SCHEMBL16632354

SCHEMBL16632354

Cc1cc(Oc2ccccc2OCc2ccccc2)c2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
TLR9 Q9NR96 3/20 0.38
TLR7 Q9NYK1 2/20 0.38
ACLY P53396 1/20 0.37
MRGPRX4 Q96LA9 3/20 0.37
TRPV3 Q8NET8 1/20 0.37
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
RXRA P19793 3/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16644674 0.86 CSF1R (0.36) ACLYMAPTL3MBTL1
SCHEMBL16632776 0.83 ACLY (0.39) ACLYL3MBTL1
SCHEMBL3913555 0.79 MEN1 (0.41) ACLYMRGPRX4MAOB
SCHEMBL16632576 0.78 NR1H2 (0.41) TLR9TLR7MRGPRX4TRPV3CYP2C9
SCHEMBL16632521 0.78 TRPV3 (0.41) BRD4TLR9TLR7MRGPRX4TRPV3
SCHEMBL16632578 0.74 TRPV3 (0.47) TLR9TLR7MRGPRX4TRPV3CYP2C9
SCHEMBL18474166 0.74 SRD5A1 (0.55) TLR9TLR7MRGPRX4RXRA
SCHEMBL3912610 0.74 TRPV3 (0.41) BRD4TLR9TLR7ACLYMRGPRX4
SCHEMBL17067788 0.73 ACLY (0.48) ACLYL3MBTL1
SCHEMBL16632472 0.73 TRPV3 (0.39) TLR9TLR7MRGPRX4TRPV3CYP2C9

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 BRD4 1180/4885TLR9 4025/4885TLR7 4006/4885

“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.