SCHEMBL9967779

SCHEMBL9967779

CC(C)/C=C/c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NFE2L2 Q16236 4/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
RELA Q04206 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CHEK1 O14757 1/20 0.41
CYP19A1 P11511 1/20 0.41
NQO2 P16083 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 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
SCHEMBL13841249 0.81 PIM1 (0.47) NFE2L2PIM1PIM2RELACYP1A2
SCHEMBL13562810 0.81 PIM1 (0.47) NFE2L2PIM1PIM2RELACYP1A2
SCHEMBL13790335 0.81 RELA (0.55) NFE2L2PIM1PIM2RELACYP1A2
SCHEMBL24434557 0.81 RELA (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9967785 0.81 RELA (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9967727 0.80 PDE2A (0.42) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20283189 0.80 NFE2L2 (0.50) NFE2L2PIM1PIM2RELACYP1A2
SCHEMBL1045096 0.78 PIM1 (0.47) NFE2L2PIM1PIM2RELACHEK1
SCHEMBL1045095 0.78 PIM1 (0.47) NFE2L2PIM1PIM2RELACHEK1
SCHEMBL2012369 0.78 PIM1 (0.47) NFE2L2PIM1PIM2RELACHEK1

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 6 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
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 MAPT 3143/4885CYP3A4 1236/4885CYP2D6 764/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD MAPT 3143/4885CYP3A4 1236/4885CYP2D6 764/4885

“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.