SCHEMBL20173809

SCHEMBL20173809

CCOC(=O)c1ccc2c(c1)CCCN2C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.54
SRD5A2 P31213 1/20 0.54
RARA P10276 1/20 0.53
RARB P10826 1/20 0.53
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALOX5 P09917 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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

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
SCHEMBL20173807 0.92 SRD5A1 (0.56) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL20178700 0.90 RARA (0.53) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL20119320 0.83 SRD5A1 (0.57) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL20173810 0.83 ALDH1A1 (0.51) RARARARBALDH1A1HPGDMAPT
SCHEMBL20178665 0.82 SRD5A1 (0.56) SRD5A1SRD5A2ALDH1A1LMNAHPGD
SCHEMBL7670996 0.81 HDAC1 (0.49) RARARARBALDH1A1LMNAHPGD
SCHEMBL20178900 0.81 RARA (0.56) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL21792306 0.78 SRD5A1 (0.52) SRD5A1SRD5A2ALDH1A1HPGDNPSR1
SCHEMBL20119318 0.78 SRD5A1 (0.59) SRD5A1SRD5A2RARARARBALDH1A1
SCHEMBL7669025 0.77 HDAC1 (0.42) RARARARBALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 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.