SCHEMBL16022716

SCHEMBL16022716

COc1c(Cl)ccc(Cl)c1C(=O)OCc1ccc(CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ TSHR P16473 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TAS1R3 Q7RTX0 5/20 0.43
▸ TAS1R1 Q7RTX1 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TAS1R2 Q8TE23 3/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL27198419 0.94 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL29786172 0.94 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL16022714 0.91 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL14872214 0.89 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL29212160 0.87 ALDH1A1 (0.67) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL30831897 0.87 ALDH1A1 (0.67) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL16022731 0.84 ALDH1A1 (0.63) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL16022733 0.83 ALDH1A1 (0.54) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL29786135 0.80 ALDH1A1 (0.73) ALDH1A1TSHRKDM4EHSD17B10TAS1R3
SCHEMBL27198397 0.80 ALDH1A1 (0.73) ALDH1A1TSHRKDM4EHSD17B10TAS1R3

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-20170029355-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC 2017-02-02 — — US disclosed
US-9402396-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2016-08-02 — — US disclosed
US-20140256549-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2014-09-11 — — 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 (2 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-20170029355-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 ALDH1A1 69/4885TSHR 2701/4885KDM4E 726/4885
US-20140256549-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 ALDH1A1 69/4885TSHR 2701/4885KDM4E 726/4885

“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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