SCHEMBL17752191

SCHEMBL17752191

C=C(C)C(=O)OC(C)(C(=O)OC1CCCCC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
EPHX1 P07099 2/20 0.33
GPR35 Q9HC97 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 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
SCHEMBL17754074 0.84 CYP19A1 (0.37) CYP19A1EPHX1GPR35HTTNAAA
SCHEMBL17752185 0.82 CYP19A1 (0.42) CYP19A1EPHX1HTTNPC1RAB9A
SCHEMBL10016871 0.78 CYP19A1 (0.34) CYP19A1EPHX1
SCHEMBL9130045 0.77 EPHX1 (0.38) CYP19A1EPHX1GPR35HTTNPC1
Methane SCHEMBL28111858 0.76 EPHX1 (0.44) CYP19A1EPHX1GPR35HTTNPC1
SCHEMBL17752187 0.75 HSD11B1 (0.36) EPHX1
SCHEMBL18822970 0.74 EPHX1 (0.46) CYP19A1EPHX1GPR35HTTSMN1; SMN2
SCHEMBL16297135 0.74 EPHX1 (0.46) CYP19A1EPHX1GPR35HTTSMN1; SMN2
SCHEMBL22480 0.74 EPHX1 (0.46) CYP19A1EPHX1GPR35HTTSMN1; SMN2
SCHEMBL887989 0.74 EPHX1 (0.46) CYP19A1EPHX1GPR35HTTSMN1; SMN2

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 CYP19A1 630/4885EPHX1 923/4885GPR35 2155/4885

“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.