SCHEMBL12082402

SCHEMBL12082402

C=CC(=O)OCCCCOC(=O)C1CCC(C(=O)OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HPGD P15428 1/20 0.50
▸ TP53 P04637 3/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL12082454 0.97 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21577950 0.96 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24511866 0.94 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24511878 0.93 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12082623 0.92 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21577962 0.91 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24511886 0.89 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13777427 0.89 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23350038 0.89 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19039557 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119687-A1 LAMINATE, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-04-21 — — US disclosed
US-11225605-B2 Polymerizable liquid crystal compound, method for producing polymerizable liquid crystal compound, polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, and image display device FUJIFILM CORPORATION (JP) 2022-01-18 — — US disclosed
US-20190352567-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, METHOD FOR PRODUCING POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-11-21 — — US disclosed
US-8257611-B2 Optical film and retardation sheet, and liquid crystal compound FUJIFILM CORPORATION (JP) 2012-09-04 — — US disclosed
US-8257611-B2 Optical film and retardation sheet, and liquid crystal compound FUJIFILM CORPORATION (JP) 2012-09-04 — — US disclosed
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2010-02-25 — — US disclosed
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2010-02-25 — — 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-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND C1R, CCNA1, C5 TSHR 729/4885ALDH1A1 3648/4885CYP3A4 3523/4885

“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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