SCHEMBL12445264

SCHEMBL12445264

FC1(F)CN(Cc2ccccc2)CC1(F)F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
GAA P10253 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MC4R P32245 1/20 0.48
DRD4 P21917 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.46
OPRL1 P41146 1/20 0.46
FUCA1 P04066 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 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
Hydrochloric Acid SCHEMBL2169645 0.98 SIGMAR1 (0.56) SIGMAR1GAAMEN1KMT2ATSHR
SCHEMBL12445301 0.87 CYP3A4 (0.54) SIGMAR1MEN1KMT2ATSHRCYP3A4
SCHEMBL15320452 0.83 GAA (0.62) SIGMAR1GAAMEN1KMT2ATSHR
SCHEMBL4006088 0.83 SIGMAR1 (0.54) SIGMAR1GAAMEN1KMT2ATSHR
SCHEMBL4003168 0.81 GAA (0.44) SIGMAR1GAAMEN1KMT2ATSHR
SCHEMBL31230969 0.80 GAA (0.54) SIGMAR1GAAMEN1KMT2ATSHR
SCHEMBL1965410 0.79 OPRL1 (0.55) SIGMAR1MEN1KMT2ATSHRCYP3A4
SCHEMBL10990414 0.78 GAA (0.67) SIGMAR1GAAMEN1KMT2ATSHR
SCHEMBL3998929 0.78 SIGMAR1 (0.52) SIGMAR1GAAMEN1KMT2ATSHR
SCHEMBL17706684 0.78 SIGMAR1 (0.52) SIGMAR1GAAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107892663-B A kind of synthetic method of tetra- fluoropyrrolidine of 3,3,4,4- 武汉药明康德新药开发有限公司 2019-08-13 CN claimed
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 SIGMAR1 2231/4885GAA 3766/4885MEN1 478/4885

“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.