SCHEMBL10172814

SCHEMBL10172814

O=C1C2CC3CC1CC(C(=O)OCCCS(=O)(=O)O)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
KMT2A Q03164 3/20 0.36
EPHX2 P34913 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
PRKCA P17252 1/20 0.35
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10067091 0.96 ALDH1A1 (0.36) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL2608652 0.92 ALDH1A1 (0.38) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL10172817 0.87 ALDH1A1 (0.45) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL10067116 0.83 ALDH1A1 (0.44) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL18232604 0.82 ALDH1A1 (0.34) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL21534591 0.81 NPSR1 (0.39) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL12972109 0.80 PRKCA (0.43) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL13310407 0.80 ALDH1A1 (0.37) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL25776323 0.79 NPSR1 (0.41) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2
SCHEMBL14648929 0.79 EPHX2 (0.33) ALDH1A1CYP17A1CYP19A1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9256127-B2 Monomer, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-09 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 US disclosed
US-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 US disclosed
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 US disclosed
US-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-10 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 (2 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-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS TYK2, VRK2, ARSA ALDH1A1 3818/4885CYP17A1 2318/4885CYP19A1 1417/4885
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 ALDH1A1 1300/4885CYP17A1 2869/4885CYP19A1 189/4885

“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.