SCHEMBL12823686

SCHEMBL12823686

CCCC1CCC(c2ccc(C3CCC(C(=O)Oc4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ OPRL1 P41146 11/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ FASN P49327 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TP53 P04637 1/20 0.30

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
SCHEMBL12823378 0.94 CYP2C9 (0.36) CYP2C9ALDH1A1MAPTLMNAOPRL1
SCHEMBL12823430 0.92 HPGD (0.32) LMNAMEN1KMT2AHPGD
SCHEMBL12823008 0.90 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTLMNAOPRL1
SCHEMBL12822696 0.87 CYP2C9 (0.36) CYP2C9ALDH1A1MAPTLMNAOPRL1
SCHEMBL13586185 0.87 HPGD (0.33) LMNAOPRL1MEN1KMT2AHPGD
SCHEMBL12822666 0.85 KMT2A (0.31) KMT2AHPGD
SCHEMBL12823348 0.85 IDH1 (0.33) MEN1KMT2AHPGD
SCHEMBL12742155 0.85 CYP2C9 (0.36) CYP2C9ALDH1A1MAPTLMNAOPRL1
SCHEMBL12737189 0.85 HPGD (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL12742157 0.84 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAOPRL1

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-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 CYP2C9 2816/4885ALDH1A1 1480/4885MAPT 1075/4885

“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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