SCHEMBL16632682

SCHEMBL16632682

Cc1cc2c(Oc3ccc(Cl)cc3OCCn3ccc(=O)[nH]c3=O)cccc2o1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CCR1 P32246 1/20 0.35
NTRK1 P04629 2/20 0.35
NTRK3 Q16288 2/20 0.35
NTRK2 Q16620 2/20 0.35
EIF4EBP1 Q13541 7/20 0.34
XBP1 P17861 1/20 0.34
DUT P33316 3/20 0.34
CYP19A1 P11511 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL16634456 0.87 L3MBTL1 (0.44) L3MBTL1NTRK1NTRK3NTRK2EIF4EBP1
SCHEMBL16632415 0.85 L3MBTL1 (0.48) L3MBTL1NTRK1NTRK3NTRK2EIF4EBP1
SCHEMBL16632787 0.80 RHEB (0.52) L3MBTL1EIF4EBP1KMT2AMCL1
SCHEMBL14871823 0.78 L3MBTL1 (0.52) L3MBTL1NTRK1NTRK3NTRK2XBP1
SCHEMBL16632486 0.78 L3MBTL1 (0.53) L3MBTL1EIF4EBP1XBP1DUTMCL1
SCHEMBL16632611 0.78 L3MBTL1 (0.48) L3MBTL1NTRK1NTRK3NTRK2EIF4EBP1
SCHEMBL16632282 0.77 L3MBTL1 (0.47) L3MBTL1EIF4EBP1MCL1
SCHEMBL16632349 0.77 L3MBTL1 (0.36) L3MBTL1DUTCYP19A1TSHRKMT2A
SCHEMBL16632606 0.77 L3MBTL1 (0.39) L3MBTL1DUTCYP19A1TSHRKMT2A
SCHEMBL16632698 0.76 L3MBTL1 (0.53) L3MBTL1EIF4EBP1XBP1DUTMCL1

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 L3MBTL1 879/4885CCR1 1121/4885NTRK1 4258/4885

“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.