SCHEMBL20809675

SCHEMBL20809675

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.73
CYP24A1 Q07973 3/20 0.67
CYP19A1 P11511 5/20 0.64
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
CKS1B P61024 1/20 0.44
SKP2 Q13309 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2877992 0.88 CYP26A1 (0.76) CYP26A1CYP24A1CYP19A1ITGB3ITGA2B
SCHEMBL20809677 0.87 CYP26A1 (0.82) CYP26A1CYP24A1CYP19A1ESR1ESR2
SCHEMBL5095627 0.82 ESR1 (0.69) CYP26A1CYP24A1CYP19A1ESR1ESR2
SCHEMBL8158688 0.81 CYP26A1 (0.86) CYP26A1CYP24A1CYP19A1ESR1ESR2
SCHEMBL20809676 0.81 CYP26A1 (0.62) CYP26A1CYP24A1CYP19A1ESR1ESR2
SCHEMBL22105497 0.81 CYP26A1 (0.56) CYP26A1CYP24A1CYP19A1ITGB3ITGA2B
SCHEMBL24362751 0.80 CYP26A1 (0.49) CYP26A1CYP24A1CYP19A1ALDH1A1CYP27A1
SCHEMBL9855381 0.78 CYP26A1 (0.60) CYP26A1CYP24A1CYP19A1ITGB3ITGA2B
SCHEMBL8203668 0.78 CYP26A1 (0.79) CYP26A1CYP24A1CYP19A1ITGB3ITGA2B
SCHEMBL22516995 0.78 ITGB3 (0.55) CYP26A1CYP24A1CYP19A1ITGB3ITGA2B

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 418/4885CYP24A1 262/4885CYP19A1 224/4885
US-20200190010-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME RORB, RORC, NR3C1 CYP26A1 418/4885CYP24A1 262/4885CYP19A1 224/4885

“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.