SCHEMBL20119320

SCHEMBL20119320

CCOC(=O)c1ccc2c(c1)CCCN2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.57
SRD5A2 P31213 1/20 0.57
RARA P10276 1/20 0.51
RARB P10826 1/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 2/20 0.50
USP2 O75604 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
MCL1 Q07820 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ACHE P22303 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
SCHEMBL20119318 0.92 SRD5A1 (0.59) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL20119292 0.89 RARA (0.51) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL20178665 0.85 SRD5A1 (0.56) SRD5A1SRD5A2ALDH1A1HPGDLMNA
SCHEMBL30041925 0.85 PDK1 (0.58) SRD5A1SRD5A2ALDH1A1HPGDNPSR1
SCHEMBL13991531 0.85 PDK1 (0.58) SRD5A1SRD5A2ALDH1A1HPGDNPSR1
SCHEMBL20173809 0.83 SRD5A1 (0.54) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL11349761 0.81 ALDH1A1 (0.58) ALDH1A1HPGDNPSR1KDM4EGAA
SCHEMBL30041535 0.81 ALDH1A1 (0.58) ALDH1A1HPGDNPSR1HSD17B10KDM4E
SCHEMBL2817935 0.81 ALDH1A1 (0.58) ALDH1A1HPGDNPSR1HSD17B10KDM4E
SCHEMBL14745460 0.81 ACHE (0.57) ALDH1A1HPGDLMNANPSR1HSD17B10

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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 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 (3 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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 SRD5A1 3236/4885SRD5A2 3608/4885RARA 2717/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 SRD5A1 184/4885SRD5A2 253/4885RARA 864/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SRD5A1 184/4885SRD5A2 253/4885RARA 864/4885

“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.