SCHEMBL12730731

SCHEMBL12730731

N#Cc1ccc(OC(=O)c2ccc(OCCCCOCC3CCC4OC4C3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HRH2 P25021 7/20 0.41
▸ HRH1 P35367 7/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HRH3 Q9Y5N1 5/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL12730687 0.94 LMNA (0.43) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730669 0.94 LMNA (0.43) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730655 0.94 LMNA (0.43) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730657 0.92 NPC1 (0.44) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730659 0.92 NPC1 (0.44) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730766 0.91 PARP15 (0.44) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730664 0.91 NPC1 (0.44) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730774 0.91 PARP15 (0.44) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL12730859 0.91 SIGMAR1 (0.45) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL12730697 0.90 NPC1 (0.41) ALDH1A1MAPTHRH2HRH1NPC1

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-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 — — US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 — — 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-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CCNT1, POF1B, CCND3 ALDH1A1 926/4885MAPT 2658/4885HRH2 548/4885

“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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