SCHEMBL12404397

SCHEMBL12404397

Cc1ccc(C2=C(c3ccncc3)COC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.69
PTGS2 P35354 7/20 0.64
KMT2A Q03164 1/20 0.56
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MT-CO2 P00403 1/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MC4R P32245 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
SCHEMBL13743029 0.85 KMT2A (0.79) PTGS1PTGS2KMT2AABCB11ALDH1A1
SCHEMBL6294549 0.84 PTGS1 (0.73) PTGS1PTGS2KMT2A
SCHEMBL5698483 0.84 PTGS1 (0.73) PTGS1PTGS2KMT2A
SCHEMBL1557809 0.84 PTGS2 (0.62) PTGS1PTGS2KMT2AABCB11ALDH1A1
SCHEMBL12404411 0.79 PTGS1 (0.76) PTGS1PTGS2KMT2AALDH1A1
SCHEMBL13524329 0.78 PTGS2 (1.00) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL7951909 0.78 CYP2D6 (0.60) PTGS1KMT2AALDH1A1
SCHEMBL22246047 0.75 KMT2A (0.49) PTGS1PTGS2KMT2AABCB11ALDH1A1
SCHEMBL13317734 0.75 PTGS1 (0.71) PTGS1PTGS2KMT2A
SCHEMBL13742879 0.74 PTGS1 (0.68) PTGS1PTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2015-12-03 US disclosed
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2014-02-06 US disclosed
US-8481534-B2 5- and 6-membered heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2011-07-28 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 (3 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-20150344467-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A PTGS1 1136/4885PTGS2 1776/4885KMT2A 2855/4885
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A PTGS1 1136/4885PTGS2 1776/4885KMT2A 2855/4885
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ACHE, PDE7A, PDE5A PTGS1 1042/4885PTGS2 1757/4885KMT2A 2900/4885

“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.