SCHEMBL12730860

SCHEMBL12730860

O=C(Oc1cc(F)c(F)c(F)c1)c1ccc(OCC2CCC3OC3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 6/20 0.42
▸ PARP15 Q460N3 5/20 0.42
▸ PARP2 Q9UGN5 2/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ PPARD Q03181 1/20 0.35

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
SCHEMBL14817289 0.84 PARP15 (0.46) PARP10PARP15PARP2NR1H4DRD2
SCHEMBL16172295 0.83 PARP10 (0.50) PARP10PARP15PARP2FFAR4MAOB
SCHEMBL12730862 0.83 PARP15 (0.43) PARP10PARP15PARP2NR1H4DRD2
SCHEMBL12787696 0.83 MAPT (0.46) PARP10PARP15PARP2DRD2DRD4
SCHEMBL12730859 0.82 SIGMAR1 (0.45) PARP10PARP15PARP2
SCHEMBL12730858 0.82 LMNA (0.50) PARP10PARP15PARP2
SCHEMBL12730774 0.82 PARP15 (0.44) PARP10PARP15PARP2NR1H4DRD2
SCHEMBL12730766 0.82 PARP15 (0.44) PARP10PARP15PARP2NR1H4DRD2
SCHEMBL8021673 0.82 PARP10 (0.49) PARP10PARP15PARP2FFAR4NR1H4
SCHEMBL8014459 0.82 PARP10 (0.49) PARP10PARP15PARP2FFAR4NR1H4

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-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 — — US disclosed
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
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 PARP10 1455/4885PARP15 3114/4885PARP2 509/4885

“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.

Send feedback