SCHEMBL17830474

SCHEMBL17830474

CCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.33
MAPT P10636 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CETP P11597 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GPR84 Q9NQS5 4/20 0.30

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
SCHEMBL14732292 0.98 LMNA (0.37) LMNACYP2D6MAPTSPHK1GMNN
SCHEMBL17830517 0.98 LMNA (0.37) LMNACYP2D6MAPTSPHK1GMNN
SCHEMBL31152017 0.91 OPRM1 (0.33) LMNAMAPTGPR84
SCHEMBL30148084 0.86 OPRM1 (0.30)
SCHEMBL30148048 0.84 MAPT (0.32) LMNAMAPTGPR84
SCHEMBL30148055 0.84 MAPT (0.32) LMNAMAPTGPR84
SCHEMBL28961457 0.84
SCHEMBL14732287 0.83
SCHEMBL9854347 0.83 MAPT (0.31) LMNAMAPTGPR84
SCHEMBL22236971 0.83 MAPT (0.31) LMNAMAPTGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850428-B2 Compound having poly (difluoromethylene) chain, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-12-26 US disclosed
US-9850428-B2 Compound having poly (difluoromethylene) chain, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-12-26 US disclosed
US-20160168466-A1 COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-16 US disclosed
US-20160168466-A1 COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-16 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-20160168466-A1 COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, F12, C1S LMNA 1629/4885CYP2D6 4242/4885MAPT 1974/4885

“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.