SCHEMBL137865

SCHEMBL137865

COC(=O)CCc1c(-n2nc3ccc(Cl)cc3n2)cc(O)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
KDM4E B2RXH2 4/20 0.38
MAPT P10636 6/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.33
PRNP P04156 1/20 0.33
CYP3A4 P08684 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
SCHEMBL132452 0.89 HDAC6 (0.37) KDM4EMAPTRXFP1ALDH1A1TP53
SCHEMBL78795 0.82 GAA (0.42) EGFRKDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL29664175 0.82 GAA (0.42) EGFRKDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL1896797 0.80 MAOB (0.42) EGFRKDM4ECYP11B1CYP11B2POLB
Bumetrizole SCHEMBL8043698 0.79 NPC1 (0.43) EGFRKDM4EMAPTRXFP1POLB
SCHEMBL7109291 0.78 EGFR (0.40) EGFRKDM4EMAPTCYP11B1CYP11B2
SCHEMBL137864 0.77 MAPT (0.35) EGFRKDM4EMAPTRXFP1ALDH1A1
SCHEMBL9580856 0.76 EGFR (0.43) EGFRKDM4EMAPTCYP11B1CYP11B2
SCHEMBL28878062 0.76 RXFP1 (0.38) EGFRKDM4EMAPTRXFP1POLB
SCHEMBL29142799 0.75 KDM4E (0.47) EGFRKDM4EMAPTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers BASF SE (DE) 2012-03-08 US disclosed
EP-2405743-A1 COMPOSITION COMPRISING PESTICIDE AND BENZOTRIAZOLE UV ABSORBERS BASF SE (DE) 2012-01-18 EP disclosed
WO-2010103021-A1 COMPOSITION COMPRISING PESTICIDE AND BENZOTRIAZOLE UV ABSORBERS BASF SE (DE) 2010-09-16 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 (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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers DDT, CRY1, PAH EGFR 4418/4885KDM4E 1396/4885MAPT 178/4885

“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.