SCHEMBL13624547

SCHEMBL13624547

CC(C)c1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
CASP6 P55212 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 4/20 0.38
NT5E P21589 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SNCA P37840 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 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
SCHEMBL18523201 0.81 ALDH1A1 (0.53) FABP3FABP4FABP5ALDH1A1HSD17B10
SCHEMBL17417188 0.81 HTT (0.54) FABP3FABP4FABP5ALDH1A1HSD17B10
SCHEMBL11400620 0.81 FABP3 (0.58) FABP3FABP4FABP5ALDH1A1LMNA
SCHEMBL531432 0.81 LMNA (0.47) FABP3FABP4FABP5ALDH1A1CASP6
SCHEMBL7978251 0.79 ALDH1A1 (0.52) FABP3FABP4FABP5ALDH1A1HSD17B10
SCHEMBL157022 0.79 NT5E (0.44) FABP3FABP4FABP5ALDH1A1HSD17B10
SCHEMBL157021 0.79 FABP3 (0.43) FABP3FABP4FABP5HSD17B10LMNA
SCHEMBL11323822 0.79 FABP3 (0.56) FABP3FABP4FABP5ALDH1A1LMNA
SCHEMBL6734428 0.77 ALDH1A1 (0.46) FABP3FABP4FABP5ALDH1A1HSD17B10
SCHEMBL5290812 0.77 CA1 (0.44) FABP3FABP4FABP5ALDH1A1HSD17B10

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
WO-2009141627-A1 TREATING NIEMANN-PICK DISEASE TYPE C AND RELATED DISORDERS BY ELEVATING INTRACELLULAR CALCIUM ISIS INNOVATION LIMITED (GB) 2009-11-26 WO disclosed
US-20080241090-A1 Use of Fluorescent Perylene Compounds for the Treatment of Human Hair WELLA AKTIENGESELLSCHAFT (DE) 2008-10-02 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 (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-20080241090-A1 Use of Fluorescent Perylene Compounds for the Treatment of Human Hair SUCLG1, KRT18, POLR1C FABP3 3963/4885FABP4 3079/4885FABP5 1210/4885

“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.