SCHEMBL12458602

SCHEMBL12458602

C=C(C)C(=O)OCCOc1cccc2c(OCCOC(=O)C(C)C)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTR1B P28222 2/20 0.36
▸ NR2E1 Q9Y466 1/20 0.35
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34

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
SCHEMBL10871016 0.92 THRB (0.46) KDM4EALDH1A1HPGDTHRBPOLB
SCHEMBL12458561 0.87 THRB (0.38) KDM4EALDH1A1HPGDTHRBPOLB
SCHEMBL10040400 0.85 IDO1 (0.44) KDM4EALDH1A1HPGDTHRBPOLB
SCHEMBL14001875 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDTHRBPOLB
SCHEMBL2033775 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL29791099 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL10580556 0.81 THRB (0.50) KDM4EALDH1A1THRBPOLBAPEX1
SCHEMBL15347409 0.81 HPGDS (0.44) ALDH1A1THRBPOLBAPEX1HTT
SCHEMBL27862419 0.81 L3MBTL1 (0.48) KDM4EALDH1A1THRBPOLBAPEX1
SCHEMBL10064078 0.80 IDO1 (0.55) KDM4EALDH1A1HPGDTHRBPOLB

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-8900479-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2014-12-02 — — US disclosed
US-8900479-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2014-12-02 — — US disclosed
US-20120236246-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-09-20 — — US disclosed
US-20120236246-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-09-20 — — 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-20120236246-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LASP1, VCL, NLK KDM4E 3806/4885ALDH1A1 4255/4885HPGD 4064/4885

“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