SCHEMBL10302176

SCHEMBL10302176

C=CCCOc1ccc(C2CCC(CCc3ccc(C)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
OPRL1 P41146 4/20 0.32
HTR6 P50406 1/20 0.32
KCNH2 Q12809 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL10302175 0.90 HTR2C (0.35) SLC6A2SLC6A4SLC6A3OPRL1HTR6
SCHEMBL14766671 0.88 GABRA1 (0.32)
SCHEMBL12739735 0.87 KDM4E (0.35) HTR6
SCHEMBL10302170 0.87 GLA (0.37) SLC6A2SLC6A4SLC6A3OPRL1HTR6
SCHEMBL10302167 0.87 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3OPRL1HTR6
SCHEMBL10303128 0.86 KCNH2 (0.31) MAPTKCNH2
SCHEMBL10302702 0.85 HTR6 (0.36) MAPTTDP1HTR6ALOX5APFEN1
SCHEMBL10302172 0.85 S1PR1 (0.36) MAPTSLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL12739739 0.85 KDM4E (0.37) HTR6
SCHEMBL10302066 0.84 OPRL1 (0.31) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 MAPT 836/4885TDP1 2821/4885SLC6A2 3969/4885

“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.