SCHEMBL12567540

SCHEMBL12567540

C=CC(=O)OCCCCCCOc1ccc(COc2ccc(OCc3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MGLL Q99685 1/20 0.42
▸ FOLH1 Q04609 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ FFAR1 O14842 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
SCHEMBL12567532 0.88 THRB (0.45) THRBALDH1A1KDM4ENPC1RAB9A
SCHEMBL6734714 0.85 — —
SCHEMBL12567545 0.85 THRB (0.44) THRBALDH1A1L3MBTL1CYP3A4TSHR
SCHEMBL19672885 0.84 THRB (0.53) THRBALDH1A1KDM4ENPC1RAB9A
SCHEMBL12567464 0.84 CYP3A4 (0.47) THRBALDH1A1NPC1L3MBTL1CYP3A4
SCHEMBL19024612 0.83 THRB (0.42) THRBALDH1A1KDM4ENPC1RAB9A
SCHEMBL28678530 0.83 THRB (0.42) THRBALDH1A1KDM4ENPC1RAB9A
SCHEMBL19698620 0.83 THRB (0.42) THRBALDH1A1KDM4ENPC1RAB9A
SCHEMBL8911984 0.83 HTT (0.40) THRBALDH1A1KDM4ENPC1CYP3A4
SCHEMBL8913468 0.83 HTT (0.40) THRBALDH1A1KDM4ENPC1CYP3A4

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-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 — — US disclosed
US-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER CHISSO CORPORATION (JP) 2011-06-23 — — 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-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER SSB, LEF1, UACA THRB 4550/4885ALDH1A1 2760/4885KDM4E 1083/4885

“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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