SCHEMBL10301601

SCHEMBL10301601

C=CCCOc1ccc(C2CCC(c3ccc(C)cc3F)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
HTR1A P08908 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A3 Q01959 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
PPARD Q03181 1/20 0.31
SCN9A Q15858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL10301602 0.95 SLC6A2 (0.39) SLC6A2SLC6A4HTR1APTGDR2SLC6A3
SCHEMBL10302414 0.89 HTR1A (0.38) SLC6A2SLC6A4HTR1AHTR2CHTR2B
SCHEMBL10301600 0.88 HTR2C (0.41) SLC6A2SLC6A4HTR1APTGDR2SLC6A3
SCHEMBL10302675 0.88 HTR1A (0.35) SLC6A2SLC6A4HTR1AL3MBTL1MAPK1
SCHEMBL10302810 0.87 HTR1A (0.36) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL10302149 0.87 SLC6A2 (0.34) SLC6A2SLC6A4HTR1ASLC6A3L3MBTL1
SCHEMBL10301879 0.87 HTR1A (0.34) SLC6A2SLC6A4HTR1A
SCHEMBL10301655 0.85 KDM4E (0.32) KDM4ETDP1HTR2CHTR2B
SCHEMBL10302412 0.85 HTR1A (0.38) SLC6A2SLC6A4HTR1AL3MBTL1MAPK1
SCHEMBL15495049 0.84 SCN9A (0.38) L3MBTL1ALDH1A1TDP1PPARDSCN9A

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 SLC6A2 3969/4885SLC6A4 3574/4885HTR1A 591/4885

“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.