SCHEMBL19398652

SCHEMBL19398652

C=Cc1ccc(CN(CC(=O)OCC)CC(=O)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP4Z1 Q86W10 2/20 0.38
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
GSTO1 P78417 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEP1B Q16820 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL12531258 0.98 CYP4F2 (0.40) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL14357544 0.94 CA1 (0.38) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL14355755 0.86 NR1D1 (0.43) CYP4F2CYP4A11ALDH1A1MEP1BHDAC8
SCHEMBL14341631 0.81 NR1D1 (0.40) CYP4F2CYP4A11CA1CA2MAPT
SCHEMBL3184733 0.80 ALDH1A1 (0.54) LTA4HALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13458248 0.80 CYP4Z1 (0.55) CYP4F2CYP4A11CYP4Z1ALDH1A1LMNA
SCHEMBL23478555 0.80 ALDH1A1 (0.45) LTA4HALDH1A1LMNAKMT2AGSTO1
SCHEMBL254781 0.79 ALDH1A1 (0.53) LTA4HALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL515232 0.78 ALDH1A1 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL26536574 0.78 KMT2A (0.42) CYP4F2CYP4A11CA12CA1CA2

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-10654032-B2 Recyclable catalysts for chlorination of organic acids and alcohols GALAXY SURFACTANTS LTD. (IN) 2020-05-19 US disclosed
US-20170274362-A1 RECYCLABLE CATALYSTS FOR CHLORINATION OF ORGANIC ACIDS AND ALCOHOLS GALAXY SURFACTANTS LTD. (IN) 2017-09-28 US disclosed
US-20170274362-A1 RECYCLABLE CATALYSTS FOR CHLORINATION OF ORGANIC ACIDS AND ALCOHOLS GALAXY SURFACTANTS LTD. (IN) 2017-09-28 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-10654032-B2 Recyclable catalysts for chlorination of organic acids and alcohols ADH1C, ADH1A, OTC CYP4F2 506/4885CYP4A11 1008/4885CA12 778/4885
US-20170274362-A1 RECYCLABLE CATALYSTS FOR CHLORINATION OF ORGANIC ACIDS AND ALCOHOLS ADH1C, ADH1A, OTC CYP4F2 506/4885CYP4A11 1008/4885CA12 778/4885

“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.