SCHEMBL19136372

SCHEMBL19136372

O=Cc1cc(Cl)c(Cl)c(C2OCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.37
ALDH3A1 P30838 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
Fluoride SCHEMBL14358431 0.74 ALDH1A1 (0.54) ALDH1A3ALDH3A1ALDH1A1KMT2A
SCHEMBL19136544 0.73 NPC1 (0.33) NPC1RAB9A
SCHEMBL7668274 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL1312098 0.72 ALDH1A1 (0.56) ALDH1A3ALDH3A1ALDH1A1KMT2A
SCHEMBL23802066 0.70 ALDH1A1 (0.35) ALDH1A3ALDH3A1ALDH1A1KDM4E
SCHEMBL4013957 0.69 ALDH1A1 (0.41) ALDH1A3ALDH3A1ALDH1A1KDM4EKMT2A
SCHEMBL15716340 0.66 DRD1 (0.44) ALDH1A3ALDH3A1ALDH1A1KDM4E
SCHEMBL3823267 0.66 ALDH1A1 (0.42) ALDH1A3ALDH3A1ALDH1A1KDM4EKMT2A
SCHEMBL30601305 0.66 TDP1 (0.48) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL510933 0.66 ALDH1A1 (0.42) ALDH1A3ALDH3A1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3408262-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-12-05 EP disclosed
WO-2017132014-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
WO-2017132014-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 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-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 ALDH1A3 524/4885ALDH3A1 1398/4885ALDH1A1 448/4885

“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.