SCHEMBL20809677

SCHEMBL20809677

O=C(O)c1ccc(CC2CCc3cc(O)ccc3C2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.82
CYP19A1 P11511 5/20 0.71
CYP24A1 Q07973 1/20 0.63
ESR1 P03372 6/20 0.53
ESR2 Q92731 6/20 0.53
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
AKR1B1 P15121 1/20 0.47

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
SCHEMBL20809838 0.88 CYP19A1 (0.68) CYP26A1CYP19A1CYP24A1ESR2
SCHEMBL20809675 0.87 CYP26A1 (0.73) CYP26A1CYP19A1CYP24A1ESR1ESR2
SCHEMBL8158688 0.87 CYP26A1 (0.86) CYP26A1CYP19A1CYP24A1ESR1ESR2
SCHEMBL8203668 0.83 CYP26A1 (0.79) CYP26A1CYP19A1CYP24A1ITGB3ITGA2B
SCHEMBL20809470 0.81 CYP26A1 (0.64) CYP26A1CYP19A1CYP24A1ESR1ESR2
SCHEMBL7750942 0.80 CYP26A1 (0.74) CYP26A1CYP19A1CYP24A1ESR1ESR2
SCHEMBL22105128 0.80 CYP26A1 (0.62) CYP26A1CYP19A1CYP24A1ESR1ESR2
SCHEMBL20809676 0.80 CYP26A1 (0.62) CYP26A1CYP19A1CYP24A1ESR1ESR2
SCHEMBL20809710 0.80 CYP26A1 (0.62) CYP26A1CYP19A1CYP24A1ESR1ESR2
SCHEMBL4622497 0.80 CYP26A1 (0.70) CYP26A1CYP19A1CYP24A1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091421-B2 Benzene fused heterocyclic derivative and pharmaceutical composition comprising the same TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2021-08-17 US disclosed
US-20200190010-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2020-06-18 US disclosed
WO-2019051222-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2019-03-14 WO 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-11091421-B2 Benzene fused heterocyclic derivative and pharmaceutical composition comprising the same RORB, RORC, NR3C1 CYP26A1 418/4885CYP19A1 224/4885CYP24A1 262/4885
US-20200190010-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME RORB, RORC, NR3C1 CYP26A1 418/4885CYP19A1 224/4885CYP24A1 262/4885

“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.