SCHEMBL10172846

SCHEMBL10172846

O=C(OCCCCS(=O)(=O)O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
FKBP1A P62942 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
EPHX2 P34913 1/20 0.34
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
APP P05067 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL10172844 0.98 ALDH1A1 (0.39) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL10172801 0.95 ALDH1A1 (0.37) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL10172811 0.93 ALDH1A1 (0.40) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL10067085 0.87 ALDH1A1 (0.39) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL10172843 0.87 APP (0.31) APP
SCHEMBL18775805 0.86 ALDH1A1 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL18775804 0.86 ALDH1A1 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL18775811 0.86 ALDH1A1 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL18776003 0.86 ALDH1A1 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL18775803 0.86 ALDH1A1 (0.41) ALDH1A1FKBP1AADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3818/4885FKBP1A 1638/4885ADRB2 2422/4885
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 ALDH1A1 1300/4885FKBP1A 4064/4885ADRB2 1853/4885

“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.