SCHEMBL1249367

SCHEMBL1249367

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CC=O)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
TLR4 O00206 2/20 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
SCHEMBL9060505 0.94 CYP1A2 (0.41) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL2211195 0.94 CYP1A2 (0.41) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8754355 0.94 CYP1A2 (0.41) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8753758 0.94 CYP1A2 (0.52) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8755857 0.92 CYP1A2 (0.50) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8755867 0.92 CYP1A2 (0.50) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8755860 0.92 CYP1A2 (0.50) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL2210902 0.88 CYP1A2 (0.45) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL10833224 0.88 CYP1A2 (0.45) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL9625923 0.88 TLR4 (0.38) CYP1A2LMNAMAPTCYP2C9TLR4

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
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1544187-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-22 EP 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-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same NOC2L, SNX2, NEFM CYP1A2 133/4885HTT 2181/4885LMNA 364/4885

“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.