SCHEMBL9967770

SCHEMBL9967770

COc1cc(/C=C/C(C)C)cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.70
CYP1B1 Q16678 8/20 0.70
CYP1A2 P05177 5/20 0.57
NQO2 P16083 5/20 0.57
ABL1 P00519 4/20 0.57
BCR P11274 4/20 0.57
TTR P02766 3/20 0.57
ALOX5 P09917 3/20 0.57
ESR1 P03372 2/20 0.57
ABCB1 P08183 2/20 0.57
CYP19A1 P11511 2/20 0.57
PTGS2 P35354 2/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
AHR P35869 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57

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
SCHEMBL13345288 0.86 CYP1A1 (0.52) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL1743363 0.83 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL1743365 0.83 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL24434557 0.79 RELA (0.65) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL9967785 0.79 RELA (0.65) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL26198846 0.78 F3 (0.54) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL26198989 0.78 CYP1A1 (0.52) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL18137732 0.78 PTGS2 (0.54) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL9967708 0.77 CYP3A4 (0.61) CYP1A1CYP1B1CYP1A2NQO2ABL1
SCHEMBL24434700 0.77 CYP3A4 (0.61) CYP1A1CYP1B1CYP1A2NQO2ABL1

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 CYP1A1 603/4885CYP1B1 390/4885CYP1A2 862/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD CYP1A1 603/4885CYP1B1 390/4885CYP1A2 862/4885

“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.