SCHEMBL17752190

SCHEMBL17752190

CC(O)(C(=O)OC1CCCCC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
CYP19A1 P11511 1/20 0.46
EPHX1 P07099 2/20 0.41
NAAA Q02083 2/20 0.38
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.35
CHRM3 P20309 2/20 0.35
GPR35 Q9HC97 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL28482215 0.83 CYP19A1 (0.47) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL19105216 0.82 CYP19A1 (0.50) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL685797 0.82 CYP19A1 (0.50) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL686208 0.82 CYP19A1 (0.50) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL686006 0.82 CYP19A1 (0.50) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL1171178 0.81 CYP19A1 (0.41) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL3717139 0.80 CYP19A1 (0.51) CYP19A1EPHX1NAAAHTTNPC1
SCHEMBL685904 0.80 CYP19A1 (0.47) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL4677611 0.79 CYP19A1 (0.50) PDK1PDK2PDK3PDK4CYP19A1
SCHEMBL24901087 0.79 CYP19A1 (0.39) PDK1PDK2PDK3PDK4CYP19A1

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-9971241-B2 Compound, resin, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-15 US disclosed
US-20160139508-A1 COMPOUND, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-19 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-20160139508-A1 COMPOUND, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN AFF1, AFF2, AFF4 PDK1 4809/4885PDK2 4229/4885PDK3 4427/4885

“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.