SCHEMBL9967743

SCHEMBL9967743

COC(=O)c1ccc(/C=C(\C#N)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 6/20 0.55
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MITF O75030 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KDM4E B2RXH2 5/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6841774 0.81 ALDH1A1 (0.59) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL10413988 0.80 ALDH1A1 (0.67) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL13485342 0.80 ALDH1A1 (0.67) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL9360681 0.77 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL9360685 0.77 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL5451648 0.76 KDM4E (0.61) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL5451650 0.76 KDM4E (0.61) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL20053873 0.75 SMN1; SMN2 (0.45) ALDH1A1MAPTLMNAKMT2AMITF
SCHEMBL23057904 0.75 KMT2A (0.43) ALDH1A1MAPTLMNAKMT2ATP53
SCHEMBL16160024 0.75 ALDH1A1 (0.54) ALDH1A1MAPTLMNAKMT2AMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 — — US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 — — US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 — — US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 — — US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 — — 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 (2 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD ALDH1A1 333/4885MAPT 3143/4885LMNA 4551/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD ALDH1A1 333/4885MAPT 3143/4885LMNA 4551/4885

“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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