SCHEMBL19466332

SCHEMBL19466332

Oc1ccc(O)c(C(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL18374933 0.83 PIM1 (0.35) —
SCHEMBL13025549 0.81 TRPA1 (0.33) ADRA2AADRA2BADRA2CADRA1AESR1
SCHEMBL31198296 0.81 ALOX15 (0.33) —
SCHEMBL1510005 0.81 TRPA1 (0.33) ADRA2AADRA2BADRA2CADRA1AESR1
SCHEMBL12834669 0.75 FEN1 (0.33) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL29987655 0.73 PIM1 (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL1512796 0.73 PIM1 (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL1509948 0.72 VEGFA (0.44) ESR1
SCHEMBL4562095 0.72 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL1509915 0.69 TRPA1 (0.38) —

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
US-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 — — US disclosed
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
US-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 — — 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 (3 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 ADRA2A 898/4885ADRA2B 939/4885ADRA2C 463/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S ADRA2A 898/4885ADRA2B 939/4885ADRA2C 463/4885
US-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device YBX1, ZKSCAN2, RCC1 ADRA2A 837/4885ADRA2B 714/4885ADRA2C 483/4885

“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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