SCHEMBL6933940

SCHEMBL6933940

CCc1ccc2ccccc2c1OC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ NCEH1 Q6PIU2 2/20 0.46
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SLC2A1 P11166 2/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ ADK P55263 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.40

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
SCHEMBL7666433 0.87 NCEH1 (0.43) SMN1; SMN2KDM4EALDH1A1NCEH1HTT
SCHEMBL8035953 0.86 ALDH1A1 (0.45) KDM4EALDH1A1HTTMAPTTP53
SCHEMBL29733218 0.84 NCEH1 (0.42) SMN1; SMN2ALDH1A1NCEH1MAPTSLC2A1
SCHEMBL9514367 0.84 GAA (0.44) HTTGAA
SCHEMBL28518796 0.83 THRB (0.45) SMN1; SMN2NCEH1MAPTSLC2A1NPC1
SCHEMBL9517997 0.81 L3MBTL1 (0.46) SMN1; SMN2KDM4EALDH1A1MAPTSLC2A1
SCHEMBL3379051 0.81 SLC2A1 (0.46) ALDH1A1NCEH1HSD17B10SLC2A1
SCHEMBL8763678 0.80 SLC2A1 (0.44) ALDH1A1NCEH1MAPTHSD17B10SLC2A1
SCHEMBL27867868 0.80 G6PD (0.41) SLC2A1BACE1
SCHEMBL5675873 0.79 KDM4E (0.54) KDM4EALDH1A1HTTMAPTTP53

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-1370221-A2 METHOD AND COMPOSITION FOR THE GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-12-17 — — EP claimed
WO-2002074266-A2 METHOD AND COMPOSITION FOR THE GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2002-09-26 — — WO claimed
EP-3556211-B1 ORGANIC AMMONIUM SALTS OF ANIONIC PESTICIDES CLARIANT INT LTD (CH) 2023-01-25 — — EP disclosed
US-20170339949-A1 SUGAR SURFACTANTS AND USE THEREOF IN AGROCHEMICAL COMPOSITIONS CLARIANT INTERNATIONAL LTD. (CH) 2017-11-30 — — US disclosed
US-20170231223-A1 Organic Ammonium Salts Of Anionic Pesticides CLARIANT INTERNATIONAL LTD. (CH) 2017-08-17 — — US disclosed
US-20170055524-A1 Aqueous Adjuvant Composition For Increasing The Efficacy Of Electrolyte Active Substances CLARIANT INTERNATIONAL LTD. (CH) 2017-03-02 — — 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 (3 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-20170339949-A1 SUGAR SURFACTANTS AND USE THEREOF IN AGROCHEMICAL COMPOSITIONS SGMS1, DEGS1, SGMS2 SMN1; SMN2 3159/4885KDM4E 3660/4885ALDH1A1 845/4885
US-20170231223-A1 Organic Ammonium Salts Of Anionic Pesticides HCN3, HCN4, KCNH3 SMN1; SMN2 4205/4885KDM4E 907/4885ALDH1A1 1723/4885
US-20170055524-A1 Aqueous Adjuvant Composition For Increasing The Efficacy Of Electrolyte Active Substances ASNS, ARG1, PHOSPHO1 SMN1; SMN2 3144/4885KDM4E 4507/4885ALDH1A1 3347/4885

“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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