SCHEMBL3507046

SCHEMBL3507046

COC(=O)C=Cc1ccccc1Cc1ccccc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.40
▸ PTGER3 P43115 7/20 0.40
▸ PTGER2 P43116 6/20 0.40
▸ PTGER4 P35408 4/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ PTGDR Q13258 5/20 0.40
▸ TBXA2R P21731 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ PTGFR P43088 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PTGIR P43119 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3507042 1.00 NFE2L2 (0.40) NFE2L2PTGER3PTGER2PTGER4ALDH1A1
SCHEMBL13225685 0.79 NFE2L2 (0.40) NFE2L2PTGER3PTGER2PTGER4ALDH1A1
SCHEMBL11549449 0.78 CA12 (0.46) PTGER3PTGER2PTGER4ALDH1A1KDM4E
SCHEMBL11549443 0.78 CA12 (0.46) PTGER3PTGER2PTGER4ALDH1A1KDM4E
SCHEMBL18802206 0.78 NFE2L2 (0.50) NFE2L2PTGER3PTGER2PTGER4ALDH1A1
SCHEMBL28548965 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL7110907 0.77 LMNA (0.46) NFE2L2PTGER3PTGER2PTGER4PTGDR
SCHEMBL1823411 0.76 LY96 (0.46) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL6821253 0.76 NFE2L2 (0.47) NFE2L2PTGER3PTGER2PTGER4ALDH1A1
SCHEMBL6821249 0.76 NFE2L2 (0.47) NFE2L2PTGER3PTGER2PTGER4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210635-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 — — US disclosed
EP-1999117-A2 RENIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-12-10 — — EP disclosed
WO-2007117961-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 — — 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-20100210635-A1 RENIN INHIBITORS REN, ACE, AGT NFE2L2 4622/4885PTGER3 415/4885PTGER2 704/4885

“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.

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