SCHEMBL20178700

SCHEMBL20178700

CCOC(=O)c1ccc2c(c1)N(C(C)C)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.53
RARB P10826 2/20 0.53
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL20173809 0.90 SRD5A1 (0.54) RARARARBSRD5A1SRD5A2ALOX5
SCHEMBL20119292 0.83 RARA (0.51) RARARARBSRD5A1SRD5A2ALOX5
SCHEMBL20178668 0.83 ALDH1A1 (0.51) RARARARBALDH1A1LMNAHPGD
SCHEMBL20173807 0.82 SRD5A1 (0.56) RARARARBSRD5A1SRD5A2ALDH1A1
SCHEMBL20178706 0.82 SRD5A1 (0.47) RARARARBSRD5A1SRD5A2ALOX5
SCHEMBL20178900 0.81 RARA (0.56) RARARARBSRD5A1SRD5A2ALDH1A1
SCHEMBL20178705 0.80 SRD5A1 (0.46) RARARARBSRD5A1SRD5A2ALOX5
SCHEMBL17806325 0.78 KDM4E (0.49) RARARARBSRD5A1SRD5A2ALDH1A1
SCHEMBL17806245 0.76 RARA (0.47) RARARARBALDH1A1LMNAHPGD
SCHEMBL19708000 0.76 ALDH1A1 (0.40) SRD5A1ALOX5ALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 RARA 864/4885RARB 877/4885SRD5A1 184/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 RARA 864/4885RARB 877/4885SRD5A1 184/4885

“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.