SCHEMBL1783474

SCHEMBL1783474

Cc1cc(Cl)cc(Br)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.40
AKR1B1 P15121 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
THRA P10827 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 2/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL6394892 0.87 AKR1B1 (0.47) AKR1B1KDM4EPOLBMAPTPTGS2
SCHEMBL508942 0.81 KDM4E (0.50) THRBKDM4ETHRAPOLBMAPT
SCHEMBL508991 0.81 AKR1B1 (0.47) AKR1B1KDM4EPTGS2
SCHEMBL13527353 0.79 PTGDR2 (0.42) AKR1B1KDM4EPTGDR2POLBMAPT
SCHEMBL1154261 0.76 KDM4E (0.47) AKR1B1KDM4EPTGDR2MAPTPTGS2
SCHEMBL20561730 0.75 AKR1B1 (0.44) THRBAKR1B1KDM4EPTGDR2POLB
SCHEMBL2967307 0.75 KDM4E (0.42) THRBAKR1B1KDM4EPTGDR2POLB
SCHEMBL29188157 0.75 KDM4E (0.46) THRBAKR1B1KDM4ETHRAPOLB
SCHEMBL24433225 0.73 KDM4E (0.34) THRBKDM4ETHRAPOLBMAPT
Hydrochloric Acid SCHEMBL26685499 0.73 KDM4E (0.41) THRBAKR1B1KDM4EPTGDR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-05-19 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-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 THRB 1459/4885AKR1B1 292/4885KDM4E 1536/4885

“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.