SCHEMBL8901268

SCHEMBL8901268

Cc1ccccc1-c1c(O)c(CCc2ccccc2)nn(CC(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.37
P2RX3 P56373 1/20 0.37
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
TACR1 P25103 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
AKR1B1 P15121 1/20 0.34
NR1I2 O75469 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
ELANE P08246 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
SCHEMBL8903032 0.92 MAPT (0.36) ADRA1AHRH1ADRA1BALDH1A1
SCHEMBL8902599 0.90 TSHR (0.40) TACR1ALDH1A1HPGDAKR1B1ELANE
SCHEMBL8903038 0.89 CASR (0.39) CASRADRA1AHRH1ADRA1BALDH1A1
SCHEMBL8901319 0.87 MAPT (0.41) CASRP2RX3ADRA1AHRH1ADRA1B
SCHEMBL8902754 0.85 TACR1 (0.39) TACR1AKR1B1
SCHEMBL8901027 0.83 CASR (0.41) CASRTACR1NR1I2
SCHEMBL8901238 0.82 CASR (0.42) CASRP2RX3TACR1ALDH1A1KDM4E
SCHEMBL8902054 0.82 ADRA1A (0.38) ADRA1AHRH1ADRA1BALDH1A1KDM4E
SCHEMBL8902072 0.81 ADRA1A (0.41) CASRADRA1AHRH1ADRA1BALDH1A1
SCHEMBL8902466 0.81 CASR (0.42) CASRTACR1ALDH1A1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188008-B2 Herbicidally and insecticidally active 4-phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-08 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 (1 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-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 CASR 3764/4885P2RX3 219/4885ADRA1A 353/4885

“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.