SCHEMBL15810368

SCHEMBL15810368

CCCCC(CC)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP3A4 P08684 2/20 0.47
▸ CA2 P00918 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL29908513 1.00 ALDH1A1 (0.69) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL15810353 1.00 ALDH1A1 (0.69) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL29777555 0.90 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL6440730 0.90 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL31349914 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL19253806 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL28257486 0.83 ALDH1A1 (0.62) ALDH1A1MAPK1SMN1; SMN2CYP3A4TDP1
SCHEMBL5933385 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL29394502 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL21381321 0.81 SMN1; SMN2 (0.57) ALDH1A1MAPK1SMN1; SMN2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943065-B1 AGROCHEMICAL COMPOSITIONS FOR INDUCING ABIOTIC STRESS TOLERANCE VIB VZW (BE) 2017-06-21 — — EP disclosed
US-20160366882-A1 AGROCHEMICAL COMPOSITIONS FOR INDUCING ABIOTIC STRESS TOLERANCE UNIVERSITEIT GENT (BE) 2016-12-22 — — US disclosed
US-20160366882-A1 AGROCHEMICAL COMPOSITIONS FOR INDUCING ABIOTIC STRESS TOLERANCE UNIVERSITEIT GENT (BE) 2016-12-22 — — US disclosed
WO-2014090988-A1 AGROCHEMICAL COMPOSITIONS FOR INDUCING ABIOTIC STRESS TOLERANCE VIB VZW (BE) 2014-06-19 — — 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-20160366882-A1 AGROCHEMICAL COMPOSITIONS FOR INDUCING ABIOTIC STRESS TOLERANCE STIP1, GSTO1, GPX4 ALDH1A1 204/4885MAPK1 1905/4885SMN1; SMN2 4873/4885

“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.

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