SCHEMBL12445301

SCHEMBL12445301

FC1(F)CCN(Cc2ccccc2)CC1(F)F

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
OPRL1 P41146 1/20 0.51
TSHR P16473 3/20 0.50
CYP2D6 P10635 3/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 1/20 0.50
OPRM1 P35372 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CCR3 P51677 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL12445264 0.87 SIGMAR1 (0.58) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
Hydrochloric Acid SCHEMBL2169645 0.85 SIGMAR1 (0.56) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL1965410 0.85 OPRL1 (0.55) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL3992623 0.84 CYP3A4 (0.56) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL15543971 0.82 CYP3A4 (0.47) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
Hydrochloric Acid SCHEMBL25412712 0.82 CYP3A4 (0.54) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL28864929 0.81 CYP3A4 (0.53) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL2918565 0.79 SIGMAR1 (0.65) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL5243003 0.79 CYP2D6 (0.67) CYP3A4HSD17B10SIGMAR1TSHRCYP2D6
SCHEMBL16211638 0.79 CYP3A4 (0.51) CYP3A4HSD17B10SIGMAR1OPRL1TSHR

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
EP-2348010-B1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND NIPPON SODA CO (JP) 2014-02-26 EP disclosed
US-8481774-B2 Method for producing tetrafluoro compound NIPPON SODA CO., LTD. (JP) 2013-07-09 US disclosed
US-8481774-B2 Method for producing tetrafluoro compound NIPPON SODA CO., LTD. (JP) 2013-07-09 US disclosed
EP-2348010-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND Nippon Soda Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178323-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND NIPPON SODA CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178323-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND NIPPON SODA CO., LTD. (JP) 2011-07-21 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-20110178323-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND F9, CA9, TAF9 CYP3A4 729/4885HSD17B10 3663/4885SIGMAR1 2231/4885

“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.