SCHEMBL12787696

SCHEMBL12787696

COc1ccc(OC(=O)c2ccc(OCC3CCC4OC4C3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PARP15 Q460N3 3/20 0.45
▸ PARP10 Q53GL7 3/20 0.45
▸ PARP2 Q9UGN5 2/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ GFER P55789 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40

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
SCHEMBL12730728 0.91 KMT2A (0.42) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730858 0.90 LMNA (0.50) MAPTLMNAKMT2AALDH1A1PARP15
SCHEMBL14817289 0.89 PARP15 (0.46) LMNAKMT2APARP15PARP10PARP2
SCHEMBL17431013 0.89 MAPT (0.41) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730774 0.87 PARP15 (0.44) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730859 0.87 SIGMAR1 (0.45) MAPTALDH1A1PARP15PARP10PARP2
SCHEMBL12730766 0.87 PARP15 (0.44) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730862 0.86 PARP15 (0.43) PARP15PARP10PARP2DRD2DRD4
SCHEMBL16172290 0.86 PARP15 (0.41) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL12730656 0.85 MAPT (0.40) MAPTLMNAKMT2AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2658/4885LMNA 2223/4885KMT2A 2708/4885

“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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