SCHEMBL16888337

SCHEMBL16888337

CCc1c(C)cccc1CC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HPGD P15428 1/20 0.37
GABRA1 P14867 4/20 0.34
GABRB2 P47870 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM5A P29375 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 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
SCHEMBL8763095 0.88 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL24594990 0.81 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1NCOA3GABRA1
SCHEMBL18440389 0.79 ALDH1A1 (0.36) ALDH1A1MAPTHPGDGABRA1GABRB2
SCHEMBL954804 0.79 TSHR (0.41) ALDH1A1MAPTL3MBTL1NCOA3CYP1A2
SCHEMBL169506 0.79 GABRA1 (0.48) ALDH1A1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL3258673 0.79 GABRA1 (0.48) ALDH1A1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL28743970 0.78 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL3942869 0.78 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1HPGDCYP1A2
SCHEMBL31454409 0.78 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL3792645 0.78 ESR1 (0.41) ALDH1A1MAPTHPGDCYP1A2CYP2C19

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-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-09 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 ALDH1A1 271/4885MAPT 1841/4885L3MBTL1 198/4885
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND XDH, SULT1A1, RFT1 ALDH1A1 243/4885MAPT 2405/4885L3MBTL1 326/4885

“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.