SCHEMBL12376782

SCHEMBL12376782

O=C(OCCS(=O)(=O)O)c1ccc2c(c1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
RXRB P28702 3/20 0.43
RXRA P19793 2/20 0.43
RXRG P48443 2/20 0.43
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38

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
SCHEMBL12411755 0.97 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ARXRBRXRA
SCHEMBL27600533 0.79 TSHR (0.48) ALDH1A1SMN1; SMN2TDP1TSHRCA12
SCHEMBL12376778 0.78 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL16329478 0.77 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31359527 0.77 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12376794 0.77 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ARXRBRXRA
SCHEMBL17013373 0.77 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ARXRBRXRA
SCHEMBL20908980 0.75 ALDH1A1 (0.43) ALDH1A1RAB9AMAPTSMN1; SMN2TDP1
SCHEMBL18776026 0.75 CES2 (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL457941 0.74 CA12 (0.56) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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 ALDH1A1 4540/4885NPC1 4449/4885RAB9A 230/4885

“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.