SCHEMBL20173807

SCHEMBL20173807

CCOC(=O)c1ccc2c(c1)CCN2C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.56
SRD5A2 P31213 1/20 0.56
RARA P10276 1/20 0.55
RARB P10826 1/20 0.55
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 2/20 0.46
MMP13 P45452 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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 0.92 SRD5A1 (0.54) SRD5A1SRD5A2RARARARBMAPT
SCHEMBL21792306 0.85 SRD5A1 (0.52) SRD5A1SRD5A2MAPTALDH1A1HSD17B10
SCHEMBL20119318 0.82 SRD5A1 (0.59) SRD5A1SRD5A2RARARARBMAPT
SCHEMBL20178700 0.82 RARA (0.53) SRD5A1SRD5A2RARARARBMAPT
SCHEMBL20119451 0.81 SRD5A1 (0.58) SRD5A1SRD5A2RARARARBMAPT
SCHEMBL20178648 0.81 SRD5A1 (0.58) SRD5A1SRD5A2MAPTALDH1A1HSD17B10
SCHEMBL20173808 0.80 RARA (0.47) RARARARBMAPTALDH1A1HSD17B10
SCHEMBL25873261 0.78 TP53 (0.46) MAPTNPC1POLBSMN1; SMN2RAB9A
SCHEMBL20119320 0.77 SRD5A1 (0.57) SRD5A1SRD5A2RARARARBMAPT
SCHEMBL14305560 0.77 ALDH1A1 (0.58) SRD5A1SRD5A2RARARARBMAPT

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.