SCHEMBL12741129

SCHEMBL12741129

COc1ccc(C(=O)OC2CCC(c3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP2D6 P10635 2/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ACLY P53396 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ NAAA Q02083 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35

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
SCHEMBL12719704 0.92 HTT (0.42) HTTLMNAMAPK1RAB9ACYP2D6
SCHEMBL12741132 0.91 KCNQ3 (0.39) CYP2D6KMT2AMAPTATMSERPINE1
SCHEMBL12823873 0.89 HTT (0.46) HTTLMNAMAPK1RAB9ACYP2D6
SCHEMBL12741119 0.87 HTT (0.39) HTTLMNAMAPK1RAB9ACYP2D6
SCHEMBL12737643 0.85 NAAA (0.39) KMT2AMEN1NAAAPDE4APDE4B
SCHEMBL12719380 0.85 ALOX5AP (0.39) HTTLMNAMAPK1RAB9ACYP2D6
SCHEMBL12741363 0.85 ALOX5AP (0.39) HTTLMNAMAPK1RAB9ACYP2D6
SCHEMBL12823243 0.85 HTT (0.40) HTTLMNAMAPK1RAB9ACYP2D6
SCHEMBL12741614 0.84 HTT (0.38) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL12737599 0.84 USP30 (0.39) KMT2AMEN1TAS1R3TAS1R1NAAA

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HTT 2987/4885LMNA 530/4885MAPK1 529/4885

“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.

Send feedback