SCHEMBL20111512

SCHEMBL20111512

CCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(CCC3CCCCC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34
QRFPR Q96P65 1/20 0.33
PTGER1 P34995 2/20 0.33
PDK2 Q15119 2/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
RIPK1 Q13546 1/20 0.33
C5AR1 P21730 1/20 0.32
ELANE P08246 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 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
SCHEMBL20102573 0.92 RIPK1 (0.32) RIPK1HTR2AHTR2CHTR2B
SCHEMBL20102515 0.89 RIPK1 (0.35) PTGER1RIPK1HPGDHTR2AHTR2C
SCHEMBL20111289 0.89 SLC6A4 (0.35) CYP19A1PTGER1PDK2SLC6A4HTR6
SCHEMBL20111248 0.88 QRFPR (0.36) QRFPRHPGD
SCHEMBL20102526 0.86 CYP19A1 (0.33) CYP19A1SLC6A4HTR6C5AR1ELANE
SCHEMBL20111710 0.85 HPGD (0.33) QRFPRHPGD
SCHEMBL20111342 0.85 ALOX5AP (0.39) PTGER1PDK2SLC6A4HTR6ALOX5AP
SCHEMBL20102516 0.85 RIPK1 (0.33) RIPK1HTR2AHTR2CHTR2B
SCHEMBL20111478 0.84 HPGD (0.34) SLC6A4HTR6RIPK1HPGDHTR2A
SCHEMBL20102519 0.83 HTR2A (0.34) PTGER1RIPK1HPGDHTR2AHTR2C

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S CYP19A1 671/4885QRFPR 2307/4885PTGER1 1465/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S CYP19A1 671/4885QRFPR 2307/4885PTGER1 1465/4885

“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.