SCHEMBL854489

SCHEMBL854489

CCC(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.45
CYP19A1 P11511 2/20 0.45
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 3/20 0.31
USP2 O75604 2/20 0.31
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP3A4 P08684 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CHRM1 P11229 1/20 0.31
CNR1 P21554 1/20 0.31
TBXA2R P21731 1/20 0.31
KMT2A Q03164 1/20 0.30
NAAA Q02083 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL119734 0.88 CYP19A1 (0.50) CYP17A1CYP19A1ALDH1A1
SCHEMBL210246 0.87 CYP19A1 (0.45) CYP17A1CYP19A1EPHX2ALDH1A1LMNA
SCHEMBL2611762 0.87 CYP17A1 (0.41) CYP17A1CYP19A1EPHX2ALDH1A1NAAA
SCHEMBL949327 0.86 CYP17A1 (0.44) CYP17A1CYP19A1EPHX2LMNA
SCHEMBL12914637 0.86 CYP17A1 (0.44) CYP17A1CYP19A1EPHX2LMNA
SCHEMBL949089 0.86 CYP17A1 (0.44) CYP17A1CYP19A1EPHX2ALDH1A1LMNA
SCHEMBL25776365 0.86 CYP17A1 (0.44) CYP17A1CYP19A1EPHX2LMNA
SCHEMBL853456 0.84 EPHX2 (0.33) CYP17A1CYP19A1EPHX2ALDH1A1LMNA
SCHEMBL11990332 0.83 CYP17A1 (0.42) CYP17A1CYP19A1EPHX2ALDH1A1
SCHEMBL11946899 0.83 CYP17A1 (0.40) CYP17A1CYP19A1EPHX2ALDH1A1

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-20160200702-A1 SALT, ACID GENERATOR, PHOTORESIST COMPOSITION, AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-14 US disclosed
US-20160200702-A1 SALT, ACID GENERATOR, PHOTORESIST COMPOSITION, AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-14 US disclosed
US-8324331-B2 Fluorine-containing compound and polymeric compound DAITO CHEMIX CORPORATION (JP) 2012-12-04 US disclosed
US-8142979-B2 Resist composition for immersion exposure and method of forming resist pattern using the same Tokyo Ohka Tokyo Co., Ltd. (JP) 2012-03-27 US disclosed
US-20100168358-A1 FLUORINE-CONTAINING COMPOUND AND POLYMERIC COMPOUND DAITO CHEMIX CORPORATION (JP) 2010-07-01 US disclosed
US-20090311627-A1 Resist composition for immersion exposure and method of forming resist pattern using the same TOKYO OHKA KOGYO CO., LTD. 2009-12-17 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-20100168358-A1 FLUORINE-CONTAINING COMPOUND AND POLYMERIC COMPOUND AFF1, AFF2, FLI1 CYP17A1 1742/4885CYP19A1 505/4885EPHX2 4018/4885
US-20160200702-A1 SALT, ACID GENERATOR, PHOTORESIST COMPOSITION, AND METHOD FOR PRODUCING PHOTORESIST PATTERN RER1, FRG1, FGFR1 CYP17A1 412/4885CYP19A1 389/4885EPHX2 2946/4885

“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.