SCHEMBL21310186

SCHEMBL21310186

CC1(C)OC(=O)C(=C2Sc3c(O)ccc(O)c3S2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ IDO1 P14902 2/20 0.30

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
SCHEMBL12243991 0.84 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL12588717 0.77 KMT2A (0.47) ALDH1A1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL12221069 0.74 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL21323925 0.72 ALDH1A1 (0.47) ALDH1A1CYP2C19TP53LMNAGAA
SCHEMBL21323928 0.69 MAPT (0.50) ALDH1A1RAB9ANPC1TP53LMNA
SCHEMBL21185523 0.69 AURKA (0.31) CYP1A2
SCHEMBL21185521 0.68 PTGS2 (0.30) —
SCHEMBL14582046 0.68 MAPT (0.40) ALDH1A1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL15744619 0.67 KMT2A (0.38) ALDH1A1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL21185515 0.66 TYR (0.32) —

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-11332669-B2 Polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, image display device, and organic electroluminescent display device FUJIFILM CORPORATION (JP) 2022-05-17 — — US disclosed
US-20190276742-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, IMAGE DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-09-12 — — US disclosed
US-20190271885-A1 OPTICAL FILM AND METHOD FOR PRODUCING THE SAME, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-09-05 — — US disclosed
US-20190264106-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, IMAGE DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-08-29 — — 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-11332669-B2 Polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, image display device, and organic electroluminescent display device OCIAD2, OCIAD1, CCND2 ALDH1A1 1315/4885CYP1A2 734/4885CYP2C19 878/4885

“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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