Sugi Predict

Sugi Predict / Compounds / SCHEMBL12739460

SCHEMBL12739460

SCHEMBL12739460

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ 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
▸ RELA Q04206 2/20 0.33
▸ AHR P35869 1/20 0.33
▸ CAMKK1 Q8N5S9 2/20 0.32
▸ CAMKK2 Q96RR4 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL12739473 0.94 FFAR4 (0.34) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL12739461 0.93 NPC1 (0.35) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL12734506 0.93 HMOX1 (0.35) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL12739472 0.91 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL12739455 0.91 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1RELANFE2L2
SCHEMBL14766775 0.91 CYP1A1 (0.34) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL13586591 0.91 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL12739463 0.90 KDM4E (0.34) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL12739467 0.89 KDM4E (0.35) CYP1A1CYP1A2CYP1B1KDM4EMEN1
SCHEMBL13586598 0.88 FFAR4 (0.35) CYP1A1CYP1A2CYP1B1KDM4EMEN1

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-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
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 CYP1A1 857/4885CYP1A2 650/4885CYP1B1 891/4885

“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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