SCHEMBL8901238

SCHEMBL8901238

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.42
P2RX3 P56373 1/20 0.40
TACR1 P25103 1/20 0.40
TDP2 O95551 1/20 0.39
NR1I2 O75469 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CREBBP Q92793 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8902950 0.91 CASR (0.37) CASR
SCHEMBL8903218 0.89 TACR1 (0.41) CASRTACR1TDP2NR1I2KDM4E
SCHEMBL8902177 0.88 CASR (0.45) CASRLMNA
SCHEMBL11965011 0.87 PDE5A (0.44) TACR1TDP2KDM4EALDH1A1HPGD
SCHEMBL8901319 0.85 MAPT (0.41) CASRP2RX3TACR1KDM4EALDH1A1
SCHEMBL11965007 0.84 HEXA (0.43) TACR1TDP2KDM4EALDH1A1MEN1
SCHEMBL8902995 0.83 TACR1 (0.44) TACR1KDM4EHPGDMEN1KMT2A
SCHEMBL8901268 0.82 CASR (0.37) CASRP2RX3TACR1NR1I2KDM4E
SCHEMBL8902466 0.81 CASR (0.42) CASRTACR1NR1I2ALDH1A1PDE4A
SCHEMBL8901216 0.80 CASR (0.44) CASRTACR1NR1I2KDM4EALDH1A1

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 219/4885TACR1 1742/4885

“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.