SCHEMBL20047555

SCHEMBL20047555

COC(=O)C1=CC=C(C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
SLC6A2 P23975 2/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
THRB P10828 1/20 0.39
CHRM1 P11229 1/20 0.39
BLM P54132 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SLC6A3 Q01959 5/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5906945 0.84 PTPN1 (0.50) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL22060045 0.79
SCHEMBL12905841 0.76 PTPN1 (0.45) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL10036725 0.75 PTPN1 (0.44) PTPN1SLC6A2CHRM3LMNACHRM2
SCHEMBL6858231 0.75 PTPN1 (0.55) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL14614628 0.75 PTPN1 (0.44) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL12166924 0.73 PTPN1 (0.43) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL6013435 0.73 PTPN1 (0.43) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL14879109 0.73
SCHEMBL19788678 0.72 ALDH1A1 (0.32)

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 PTPN1 1449/4885SLC6A2 1405/4885CHRM3 1106/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PTPN1 1449/4885SLC6A2 1405/4885CHRM3 1106/4885

“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.