SCHEMBL6526414

SCHEMBL6526414

CCCCCCCC(=O)c1cc2sccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
GAA P10253 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
POLB P06746 1/20 0.48
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B3 P37058 6/20 0.43
HTT P42858 2/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL23510106 0.94 GPR35 (0.56) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL23509888 0.88 GPR35 (0.59) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL17086893 0.83 GPR35 (0.48) GPR35ALDH1A1HDAC1HSD17B3HTT
SCHEMBL15274423 0.82 GPR35 (0.46) GPR35GAAALDH1A1GLAHSD17B3
SCHEMBL12617662 0.81 GPR35 (0.62) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL17086928 0.79 GPR35 (0.44) GPR35ALDH1A1GLAHSD17B3HTT
SCHEMBL15274424 0.79 ALDH1A1 (0.49) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL6999984 0.79 GPR35 (0.41) GPR35ALDH1A1GLAHSD17B3HTT
SCHEMBL14668342 0.78 GPR35 (0.59) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL17426170 0.78 HTT (0.44) ALDH1A1HSD17B3HTTFFAR1PLA2G2A

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
EP-2257601-B1 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2019-04-10 EP disclosed
US-9716240-B2 High molecular extinction coefficient metal dyes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-25 US disclosed
US-20110062541-A1 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES Changchun Applied Chemistry Institute of Chinese Academy of Sciences (CN) 2011-03-17 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-20110062541-A1 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES ANXA5, TRPM5, EPCAM GPR35 3041/4885GAA 2433/4885ALDH1A1 596/4885

“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.