SCHEMBL1653145

SCHEMBL1653145

COc1ccc(-c2c(-c3c(C)noc3C)n(C#N)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.48
PTGS2 P35354 1/20 0.45
NAAA Q02083 1/20 0.41
BRD2 P25440 2/20 0.41
CREBBP Q92793 2/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GRIK2 Q13002 1/20 0.38
BRD3 Q15059 1/20 0.38

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
SCHEMBL1651655 0.87 BRD4 (0.43) BRD4NAAABRD2CREBBPUSP2
SCHEMBL1653202 0.80 L3MBTL1 (0.38) ALDH1A1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL1074368 0.80 BRD4 (0.53) BRD4PTGS2BRD2CREBBPUSP2
SCHEMBL1077121 0.77 CREBBP (0.41) BRD4PTGS2CREBBPUSP2ALDH1A1
SCHEMBL12987976 0.77 PTGS2 (0.47) BRD4PTGS2NAAABRD2CREBBP
SCHEMBL1652076 0.77 BRD4 (0.45) BRD4PTGS2BRD2USP2ALDH1A1
SCHEMBL1654765 0.76 ALDH1A1 (0.45) BRD4PTGS2USP2ALDH1A1CYP1A2
SCHEMBL12387068 0.75 CYP1A2 (0.39) BRD4USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL17833811 0.74 PTGS2 (0.72) BRD4PTGS2BRD2BRD3
SCHEMBL1652825 0.74 KDM4E (0.40) USP2ALDH1A1TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486010-B1 ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-06-12 EP disclosed
EP-2486010-B1 ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-06-12 EP disclosed
US-8710243-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-04-29 US disclosed
EP-2486010-A2 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-15 EP disclosed
US-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-09 US disclosed
US-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-09 US disclosed
US-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-09 US disclosed
WO-2011042473-A2 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed
WO-2011042473-A2 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO 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-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 BRD4 877/4885PTGS2 3727/4885NAAA 2178/4885

“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.