SCHEMBL8900958

SCHEMBL8900958

CCc1nn(Cc2ccc(Cl)cc2)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
TP53 P04637 1/20 0.40
TDO2 P48775 1/20 0.39
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
THRB P10828 1/20 0.38
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
CES2 O00748 1/20 0.37
BCHE P06276 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
SCHEMBL8902391 0.92 ALDH1A1 (0.46) ALDH1A1PTGDR2HPGDPDE5AKMT2A
SCHEMBL8903058 0.91 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8901050 0.90 ADRA1A (0.40) TP53ADRA1AHRH1ADRA1B
SCHEMBL8901812 0.89 MAPT (0.43) ALDH1A1LMNAPTGDR2TP53TDO2
SCHEMBL8902439 0.88 LMNA (0.39) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8903051 0.87 LMNA (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8902381 0.85 GAA (0.42) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL8902121 0.84 MAPT (0.36) ALDH1A1LMNATHRBADRA1AHRH1
SCHEMBL11965008 0.84 MAPT (0.43) ALDH1A1LMNAHPGDHEXAHEXB
SCHEMBL8901922 0.84 LMNA (0.41) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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 ALDH1A1 1001/4885LMNA 1726/4885CYP1A2 39/4885

“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.