SCHEMBL9967765

SCHEMBL9967765

CC(C)/C=C/c1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CAPN1 P07384 1/20 0.32
CAPN2 P17655 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CXCL12 P48061 1/20 0.32

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
SCHEMBL24299463 0.80 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL11800306 0.78 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11800299 0.78 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL105258 0.76 NFE2L2 (0.54) APPMEN1KMT2ALMNA
SCHEMBL18714866 0.76 APP (0.52) APPCYP3A4CYP2C9CYP2C19MAPT
SCHEMBL2869906 0.76 NFE2L2 (0.54) APPMEN1KMT2ALMNA
SCHEMBL23623944 0.76 TYR (0.54) CYP2C9MAPTALDH1A1MEN1KMT2A
SCHEMBL9967711 0.76 AHR (0.48) CYP1A2
SCHEMBL14465008 0.76 AHR (0.48) CYP1A2
SCHEMBL29078901 0.76 ALDH1A1 (0.52) CYP3A4CYP2C9CYP2C19MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2024-01-02 US disclosed
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto DEFENSE THREAT REDUCTION AGENCY, US DOD 2019-10-03 US disclosed
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
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2007095584-A2 Histone Deacetylase Inhibitors THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-08-23 WO 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 (4 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 APP 4313/4885CYP3A4 1236/4885CYP2C9 963/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 APP 3203/4885CYP3A4 2123/4885CYP2C9 1374/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD APP 4313/4885CYP3A4 1236/4885CYP2C9 963/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP APP 3416/4885CYP3A4 4033/4885CYP2C9 3766/4885

“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.