SCHEMBL12376761

SCHEMBL12376761

C=Cc1ccc2cc(C(=O)OCCS(=O)(=O)O)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
DRD3 P35462 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
STS P08842 3/20 0.35
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL12376769 0.86 TDP1 (0.43) STSTDP1ALDH1A1CYP3A4MAPK1
SCHEMBL24611299 0.82 HRH3 (0.40) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL11953044 0.82 HRH3 (0.54) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL2742177 0.80 HRH3 (0.34) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL16329467 0.79 CA12 (0.51) STSMCL1KDM4EMEN1ALDH1A1
SCHEMBL10134937 0.79 TDP1 (0.36) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL2742182 0.77 HRH3 (0.32) HRH3DRD3KDM4E
SCHEMBL27600533 0.76 TSHR (0.48) STSTDP1ALDH1A1CYP3A4MAPK1
SCHEMBL18499618 0.76 HRH3 (0.35) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL20008937 0.75 HRH3 (0.40) HRH3DRD3ADRB2ADRB1ADRB3

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-8691490-B2 Sulfonium salt, polymer, method for producing the polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-08 US disclosed
US-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-08-04 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-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS RPS4Y1, ETV6, RPS4X HRH3 34/4885DRD3 1748/4885ADRB2 2821/4885

“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.