SCHEMBL21135730

SCHEMBL21135730

O=C(OC1CCCCC1)C(F)(C1CCCC1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
EPHX1 P07099 2/20 0.36
STS P08842 4/20 0.33
CHRM3 P20309 3/20 0.33
GPR35 Q9HC97 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
NAAA Q02083 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL107383 0.81 CYP19A1 (0.40) CYP19A1EPHX1STSGPR35CYP2C19
SCHEMBL686576 0.81 CYP19A1 (0.40) CYP19A1EPHX1STSGPR35CYP2C19
SCHEMBL686230 0.81 CYP19A1 (0.40) CYP19A1EPHX1STSGPR35CYP2C19
SCHEMBL18785946 0.81 CYP19A1 (0.40) CYP19A1EPHX1STSGPR35CYP2C19
SCHEMBL18785944 0.81 CYP19A1 (0.40) CYP19A1EPHX1STSGPR35CYP2C19
SCHEMBL21135763 0.81 NR1H2 (0.33)
SCHEMBL107375 0.79 ALDH1A1 (0.40) CYP19A1EPHX1STSGPR35CYP2C19
SCHEMBL21135773 0.75 ALDH1A1 (0.36)
SCHEMBL21135923 0.75
SCHEMBL13225518 0.75 CYP19A1 (0.36) CYP19A1EPHX1STSGPR35CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-06-27 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-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE RER1, ACTR5, RAD51 CYP19A1 1662/4885EPHX1 139/4885STS 2309/4885

“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.