SCHEMBL11025772

SCHEMBL11025772

CCCCOC1CC=C(c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
CCNT1 O60563 6/20 0.36
CDK9 P50750 6/20 0.36
KDM1A O60341 2/20 0.34
FFAR4 Q5NUL3 2/20 0.33
ESR1 P03372 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 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
SCHEMBL8932708 0.92 CCNT1 (0.37) NAAACCNT1CDK9ESR1NPC1
SCHEMBL11026629 0.90 CCNT1 (0.37) CCNT1CDK9ESR1PTGDR2L3MBTL1
SCHEMBL8939271 0.89 CCNT1 (0.38) CCNT1CDK9ESR1NPC1CASP3
SCHEMBL15381642 0.89 NAAA (0.44) NAAACCNT1CDK9ESR1FGFR1
SCHEMBL11023774 0.89 CCNT1 (0.37) CCNT1CDK9ESR1PTGDR2
SCHEMBL14766715 0.88 NAAA (0.39) NAAACCNT1CDK9FFAR4PTGDR2
SCHEMBL8939277 0.87 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL8939274 0.87 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL15381704 0.86 NAAA (0.41) NAAACCNT1CDK9ESR1FGFR1
SCHEMBL8939261 0.86 CCNT1 (0.41) NAAACCNT1CDK9ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484658-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2017-12-06 EP disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
EP-2484658-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-08-08 EP disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 US disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 US disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 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-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME H1-0, EFHD2, CCND2 NAAA 3360/4885CCNT1 7/4885CDK9 813/4885

“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.