SCHEMBL2399698

SCHEMBL2399698

C=CCN(C)/C=C/C=C(/C(=O)OC)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2399700 1.00 RAB9A (0.43) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL2401918 0.90 C5AR1 (0.38) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL2401914 0.90 C5AR1 (0.38) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4620452 0.88 ALDH1A1 (0.39) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL13609928 0.87 ALDH1A1 (0.42) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL805450 0.84 ALDH1A1 (0.48) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL13609923 0.84 ALDH1A1 (0.48) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL22453309 0.81 ALDH1A1 (0.43) RAB9AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL24293675 0.79 ALDH1A1 (0.41) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3201661 0.77 ALDH1A1 (0.45) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8025867-B2 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2011-09-27 — — US disclosed
US-20080305058-A1 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds L'OREAL (FR) 2008-12-11 — — 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 (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-20080305058-A1 Photoprotective cosmetic compositions comprising photostabilized dibenzoylmethane compounds and merocyanine sulfone compounds DDT, DSG1, DSC1 RAB9A 1085/4885ALDH1A1 809/4885SMN1; SMN2 3755/4885

“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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