SCHEMBL18314929

SCHEMBL18314929

CCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OC(F)(F)C=C(F)F)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 3/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 8/20 0.34
ESR1 P03372 6/20 0.33
CYP3A4 P08684 2/20 0.33
HTR2C P28335 2/20 0.32
DRD2 P14416 1/20 0.31
GCGR P47871 1/20 0.30
CYP2D6 P10635 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 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
SCHEMBL17050114 0.93 CYP2C9 (0.48) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL17050143 0.90 CYP2C9 (0.45) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL17050119 0.90 CYP2C9 (0.45) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL18314927 0.88 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL18314933 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL18314877 0.88 CYP2C9 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL18315152 0.88 CYP2C9 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL18559855 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL18315000 0.85 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL16560144 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-15 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-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE TCOF1, PIEZO1, RCC1 ALDH1A1 664/4885LMNA 3030/4885MAPT 1235/4885

“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.