SCHEMBL20176571

SCHEMBL20176571

CN1Cc2cc(-c3ccc4c(c3)CCc3ccccc3N4C)ccc2Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.46
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
DRD1 P21728 7/20 0.36
DRD5 P21918 7/20 0.36
DRD2 P14416 6/20 0.36
DRD3 P35462 6/20 0.36
DRD4 P21917 5/20 0.36
SCN9A Q15858 1/20 0.35
SRD5A1 P18405 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
SCHEMBL18596812 0.86 HSD17B3 (0.36) HSD17B3CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL20905279 0.84 CYP11B1 (0.50) HSD17B3CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL19035882 0.83 DRD1 (0.37) HSD17B3CYP1A2DRD1DRD5DRD2
SCHEMBL2616329 0.75 DRD3 (0.48) HSD17B3CYP1A2DRD1DRD5DRD2
SCHEMBL18596813 0.73 CYP11B1 (0.42) HSD17B3CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL13615992 0.72 CYP11B1 (0.43) HSD17B3CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL13615807 0.72 CYP11B1 (0.43) HSD17B3CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL20625222 0.72 CYP11B1 (0.41) HSD17B3CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL12013898 0.72 HSD17B3 (0.56) HSD17B3CYP1A2DRD1DRD5DRD2
SCHEMBL2604390 0.72 MAOA (0.52) HSD17B3CYP1A2DRD1DRD5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2021-08-17 US disclosed
US-10669482-B2 Liquid crystal composition, liquid crystal cured layer, and method for producing said liquid crystal cured layer ZEON CORPORATION (JP) 2020-06-02 US disclosed
US-10647920-B2 Liquid crystalline composition, liquid crystal cured layer, method for producing same, and optical film ZEON CORPORATION (JP) 2020-05-12 US disclosed
US-10620352-B2 Circularly polarized light separating film and method for producing same ZEON CORPORATION (JP) 2020-04-14 US disclosed
US-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2020-02-13 US disclosed
US-20190225884-A1 LIQUID CRYSTALLINE COMPOSITION, LIQUID CRYSTAL CURED LAYER, METHOD FOR PRODUCING SAME, AND OPTICAL FILM ZEON CORPORATION (JP) 2019-07-25 US disclosed
US-20190093014-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL CURED LAYER, AND METHOD FOR PRODUCING SAID LIQUID CRYSTAL CURED LAYER ZEON CORPORATION (JP) 2019-03-28 US disclosed
US-10207474-B2 Multilayer film, optically anisotropic layered body, circularly polarizing plate, organic electroluminescence display device, and manufacturing method ZEON CORPORATION (JP) 2019-02-19 US disclosed
US-20180143361-A1 CIRCULARLY POLARIZED LIGHT SEPARATING FILM AND METHOD FOR PRODUCING SAME ZEON CORPORATION (JP) 2018-05-24 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-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PDE8A, MAPT, PLK4 HSD17B3 1351/4885CYP11B1 3005/4885CYP11B2 3322/4885
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PDE8A, MAPT, PLK4 HSD17B3 1351/4885CYP11B1 3005/4885CYP11B2 3322/4885

“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.