SCHEMBL6234867

SCHEMBL6234867

O=C(O)c1ccccc1[S+]([O-])CCCCCC[S+]([O-])c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
AKR1C3 P42330 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
SCHEMBL233478 0.92 ALDH1A1 (0.45) ALDH1A1KDM4ECA12CA9KMT2A
SCHEMBL11272766 0.91 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL7764260 0.84 ALDH1A1 (0.43) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL11414000 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL9171525 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL7833396 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL8156536 0.77 HDAC3 (0.49) ALDH1A1HPGDSMN1; SMN2MAPTHDAC8
SCHEMBL23748688 0.77 TSHR (0.38) ALDH1A1KDM4ECA12CA9KMT2A
SCHEMBL24087400 0.77 TSHR (0.41) ALDH1A1KDM4ECA12HPGDCA9
SCHEMBL30828909 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282397-B1 USE OF COMPOUNDS CONTAINING A THIO-ETHER, SULPHOXIDE OR SULPHONE FUNCTION AS COSMETIC ANTI-POLLUTION AGENT OREAL (FR) 2005-05-04 EP claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US disclosed
US-4331656-A Composition and process for reducing the oily appearance of the hair and skin L'OREAL (FR) 1982-05-25 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-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent TST, STS, MPST ALDH1A1 1866/4885ALOX15 1119/4885KDM4E 1406/4885

“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.