SCHEMBL17075722

SCHEMBL17075722

CCCC1CCC(C2CCC(c3c(F)cccc3F)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.46
ABCB1 P08183 1/20 0.42
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TLR4 O00206 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM2 Q14416 2/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL17075718 1.00 OPRL1 (0.46) OPRL1ABCB1CYP2C9ALDH1A1LMNA
SCHEMBL17075724 1.00 OPRL1 (0.46) OPRL1ABCB1CYP2C9ALDH1A1LMNA
SCHEMBL28189883 0.86 OPRL1 (0.45) OPRL1ABCB1CYP2C9ALDH1A1LMNA
SCHEMBL9248396 0.84 OPRL1 (0.46) OPRL1ABCB1CYP2C9MAPTMEN1
SCHEMBL9248387 0.84 OPRL1 (0.46) OPRL1ABCB1CYP2C9MAPTMEN1
SCHEMBL7566935 0.83 OPRL1 (0.42) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7566942 0.83 OPRL1 (0.42) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7566930 0.83 OPRL1 (0.42) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8437361 0.83 OPRL1 (0.41) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8437363 0.83 OPRL1 (0.41) OPRL1CYP2C9ALDH1A1LMNAMAPT

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-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
CN-104640832-B There is the compound and liquid-crystal composition thereof of fluoridizing naphthalene structure DIC CORP. (JP) 2016-03-02 CN disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
CN-104640832-A Compound having fluorinated naphthalene structure and liquid crystal composition of said compound DAINIPPON INK & CHEMICALS 2015-05-20 CN 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-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 OPRL1 1229/4885ABCB1 3756/4885CYP2C9 811/4885

“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.