SCHEMBL9967772

SCHEMBL9967772

CC(C)/C=C/c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPRZ1 P23471 3/20 0.39
PTPN1 P18031 2/20 0.39
CYP1A1 P04798 6/20 0.38
CYP1A2 P05177 6/20 0.38
CYP1B1 Q16678 6/20 0.38
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KIF11 P52732 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL16638195 0.83 TUBB4A (0.37) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL9967771 0.78 CYP1A1 (0.59) ALDH1A1KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL12650395 0.75 CYP1A2 (0.50) CYP1A1CYP1A2CYP1B1
SCHEMBL20460722 0.75 CYP1A1 (0.41) ALDH1A1KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL9967716 0.75 CYP1A2 (0.50) CYP1A1CYP1A2CYP1B1
SCHEMBL16638503 0.74 CYP1A1 (0.38) ALDH1A1KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL27597567 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL256050 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL5399931 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL2869906 0.71 NFE2L2 (0.54) LMNA

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 333/4885KDM4E 2891/4885TDP1 1983/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD ALDH1A1 333/4885KDM4E 2891/4885TDP1 1983/4885

“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.