SCHEMBL20111330

SCHEMBL20111330

CCCC1CCC(c2cc3c(c(F)c2F)-c2c-3ccc(C)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.37
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20111650 0.87 OPRL1 (0.34) OPRL1
SCHEMBL20102418 0.86 CYP2C9 (0.36) OPRL1MEN1MAPK1KMT2ACYP2C9
SCHEMBL20111329 0.85 OPRL1 (0.40) OPRL1MEN1MAPK1KMT2ACYP2C9
SCHEMBL20102430 0.85 MEN1 (0.34) OPRL1MEN1MAPK1KMT2ACYP2C9
SCHEMBL20102486 0.85 OPRL1 (0.39) OPRL1MEN1MAPK1KMT2ACYP2C9
SCHEMBL20102554 0.84 MEN1 (0.33) OPRL1MEN1MAPK1KMT2ACYP2C9
SCHEMBL20102419 0.84 ALDH1A1 (0.38) OPRL1MEN1MAPK1KMT2ACYP2C9
SCHEMBL20111545 0.82 ESR2 (0.30)
SCHEMBL20102415 0.82 MEN1 (0.32) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL21609926 0.81 OPRL1 (0.40) OPRL1MEN1MAPK1KMT2ACYP2C9

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 OPRL1 1758/4885MEN1 2571/4885MAPK1 1115/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S OPRL1 1758/4885MEN1 2571/4885MAPK1 1115/4885

“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.