SCHEMBL9967771

SCHEMBL9967771

CSc1ccc(/C=C/C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 12/20 0.59
CYP1B1 Q16678 12/20 0.59
CYP1A2 P05177 11/20 0.59
ALDH1A1 P00352 5/20 0.52
FBP1 P09467 1/20 0.50
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL13790333 0.83 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL13790243 0.83 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL8367958 0.83 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL7567897 0.83 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL20460722 0.83 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL24299463 0.78 CYP3A4 (0.37) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL2622608 0.78 CYP1A1 (0.59) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL9967789 0.78 TUBB4A (0.55) CYP1A1CYP1B1CYP1A2ALDH1A1MAPT
SCHEMBL16638503 0.78 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL9967772 0.78 ALDH1A1 (0.44) CYP1A1CYP1B1CYP1A2ALDH1A1LMNA

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.