SCHEMBL12734506

SCHEMBL12734506

CCOc1ccc(-c2ccc(/C=C/c3ccc(C4CCC(CC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ AHR P35869 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CAMKK1 Q8N5S9 2/20 0.32
▸ CAMKK2 Q96RR4 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ FFAR1 O14842 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
SCHEMBL12734523 0.94 HMOX1 (0.36) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL12734509 0.93 HMOX1 (0.35) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL12739460 0.93 CYP1A1 (0.34) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL12734501 0.91 CYP1A1 (0.40) RELACYP1A1CYP1A2CYP1B1
SCHEMBL12734525 0.91 HMOX1 (0.35) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL14766156 0.91 HMOX1 (0.35) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL13586535 0.91 ESR1 (0.35) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL12734511 0.90 HMOX1 (0.34) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL12734513 0.89 KDM4E (0.35) HMOX1KDM4EMEN1NPC1MAPT
SCHEMBL12734515 0.88 KDM4E (0.35) HMOX1KDM4EMEN1NPC1MAPT

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 5 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 HMOX1 4209/4885KDM4E 2690/4885MEN1 2496/4885

“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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