SCHEMBL694510

SCHEMBL694510

COc1ccccc1COCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
ALDH1A1 P00352 2/20 0.49
TAAR1 Q96RJ0 1/20 0.47
ABCB1 P08183 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL3655669 0.89 IDO1 (0.53) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL10458199 0.85 IDO1 (0.56) IDO1ALDH1A1TAAR1ABCB1CHRM2
SCHEMBL26654 0.84 IDO1 (0.69) IDO1ALDH1A1TAAR1ABCB1CHRM2
SCHEMBL8372624 0.84 ABCB1 (0.47) IDO1ALDH1A1TAAR1ABCB1LMNA
SCHEMBL3073638 0.84 TAAR1 (0.55) IDO1ALDH1A1TAAR1ABCB1CHRM2
SCHEMBL17230506 0.83 IDO1 (0.58) IDO1ALDH1A1TAAR1ABCB1CHRM2
SCHEMBL4602231 0.81 IDO1 (0.56) IDO1ALDH1A1TAAR1ABCB1CHRM2
SCHEMBL6721551 0.81 IDO1 (0.56) IDO1ALDH1A1TAAR1ABCB1CHRM2
SCHEMBL2491930 0.81 ALDH1A1 (0.44) IDO1ALDH1A1MAPTHPGD
SCHEMBL1941923 0.79 IDO1 (0.53) IDO1TAAR1ABCB1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
EP-0068260-B1 SUBSTITUTED PHENOXYPROPIONATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
EP-0086392-B1 HERBICIDAL AGENT CONTAINING METAMITRON IN COMBINATION WITH CERTAIN PHENOXYPROPIONIC-ACID ESTERS BAYER AG (DE) 1985-08-21 EP disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed
EP-0086392-A1 Herbicidal agent containing metamitron in combination with certain phenoxypropionic-acid esters BAYER AG (DE) 1983-08-24 EP disclosed
EP-0084819-A2 Herbicidal agents containing methabenzthiazuron in combination with certain phenoxypropionic acid esters BAYER AG (DE) 1983-08-03 EP disclosed
EP-0068260-A2 Substituted phenoxypropionates, process for their preparation and their use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-01-05 EP 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 IDO1 2537/4885ALDH1A1 1307/4885TAAR1 1211/4885

“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.