SCHEMBL20047487

SCHEMBL20047487

CCC(C)(C)c1ccc2cc(C(C)(C)C)cc(OC)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
FGFR2 P21802 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAK O14976 1/20 0.34
RIPK2 O43353 1/20 0.34

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
SCHEMBL23502426 0.88 CNR2 (0.42) TDO2CNR1CNR2
SCHEMBL20043184 0.87 TDO2 (0.44) TDO2SMN1; SMN2FGFR2ALDH1A1KMT2A
SCHEMBL20932810 0.80 ALDH1A1 (0.41) CNR1CNR2MAPK1SMN1; SMN2NPC1
SCHEMBL20408459 0.79 CYP3A4 (0.46) CNR1CNR2MAPK1SMN1; SMN2NPC1
SCHEMBL13385187 0.77 CNR1 (0.47) CNR1CNR2MAPK1SMN1; SMN2NPC1
SCHEMBL26780223 0.76 LMNA (0.42) CNR1CNR2MAPK1SMN1; SMN2NPC1
SCHEMBL19010378 0.74 NPC1 (0.50) CNR2MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL21161085 0.74 HDAC4 (0.38) TDO2SMN1; SMN2ALDH1A1NPSR1
SCHEMBL13262555 0.74 CYP1A2 (0.48) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9782914 0.74 MAPK1 (0.41) CNR1CNR2MAPK1SMN1; SMN2NPC1

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 TDO2 1978/4885CNR1 410/4885CNR2 485/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 TDO2 1978/4885CNR1 410/4885CNR2 485/4885

“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.