SCHEMBL12736720

SCHEMBL12736720

CCCC1CCC(c2ccc(OC(=O)c3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.60
▸ MAPT P10636 5/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ GFER P55789 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ ACR P10323 1/20 0.44
▸ DGAT1 O75907 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ HSD11B1 P28845 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
SCHEMBL11418447 1.00 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10909504 0.96 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10910735 0.96 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10909503 0.96 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10909500 0.96 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10910739 0.96 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10898816 0.95 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10938649 0.95 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11408041 0.93 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11408469 0.92 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345939-B1 POWDER MIXTURE DAINIPPON INK & CHEMICALS (JP) 2020-10-14 — — EP disclosed
US-10581022-B2 Polymerizable liquid crystal compound, composition, liquid crystal polymerization film-kind thereof and use thereof JNC CORPORATION (JP) 2020-03-03 — — US disclosed
EP-3345939-A1 POWDER MIXTURE DIC Corporation (JP) 2018-07-11 — — EP disclosed
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF JNC CORPORATION (JP) 2017-06-22 — — US disclosed
US-9540567-B2 Polymerizable liquid crystal composition and optically anisotropic body JNC CORPORATION (JP) 2017-01-10 — — US disclosed
US-20160289562-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY JNC CORPORATION (JP) 2016-10-06 — — US disclosed
US-7923078-B2 Light-modulating liquid-crystal element ADEKA CORPORATION (JP) 2011-04-12 — — US disclosed
US-20090279043-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT ADEKA CORPORATION (JP) 2009-11-12 — — 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 (2 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-10581022-B2 Polymerizable liquid crystal compound, composition, liquid crystal polymerization film-kind thereof and use thereof RCC1, CHRM1, PFN1 CYP2C9 2312/4885MAPT 862/4885ALDH1A1 2853/4885
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF RCC1, CHRM1, PFN1 CYP2C9 2312/4885MAPT 862/4885ALDH1A1 2853/4885

“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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