SCHEMBL10008748

SCHEMBL10008748

CCCC(F)C(F)COc1ccc(CCl)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.35
▸ S1PR4 O95977 2/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PLA2G4A P47712 1/20 0.32

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
SCHEMBL9497769 0.81 LMNA (0.48) —
SCHEMBL28130247 0.76 ACACB (0.44) ACACB
SCHEMBL2995440 0.72 TSHR (0.56) TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2417808 0.72 LMNA (0.53) KMT2ATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL4527180 0.72 MAPT (0.50) KMT2ATSHRACACBKDM4EALDH1A1
SCHEMBL1390870 0.72 NQO1 (0.67) KMT2ATSHRNQO1KDM4EALDH1A1
SCHEMBL9345806 0.70 LTA4H (0.49) TSHRALDH1A1SMN1; SMN2
SCHEMBL20003407 0.69 LMNA (0.62) KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL6018241 0.69 NR5A1 (0.58) S1PR1S1PR5KMT2ATSHR
SCHEMBL10664586 0.69 NQO1 (0.39) TSHRNQO1KDM4E

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-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 — — EP disclosed
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 — — EP disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 S1PR1 746/4885S1PR4 1866/4885S1PR5 1799/4885

“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.

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