SCHEMBL16738641

SCHEMBL16738641

CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 9/20 0.67
USP30 Q70CQ3 3/20 0.54
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.49
NOTUM Q6P988 1/20 0.49
AVPR2 P30518 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 1/20 0.47
STAT6 P42226 1/20 0.47

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
SCHEMBL16738642 1.00 UCHL1 (0.67) UCHL1USP30ALDH1A1TSHRPOLB
SCHEMBL20370276 0.94 UCHL1 (0.72) UCHL1USP30ALDH1A1TSHRHSD17B10
SCHEMBL29476005 0.82 NOTUM (0.63) ALDH1A1TSHRPOLBNOTUMSMN1; SMN2
SCHEMBL3127747 0.82 NOTUM (0.63) ALDH1A1TSHRPOLBNOTUMSMN1; SMN2
SCHEMBL26256077 0.81 STAT6 (0.57) UCHL1ALDH1A1TSHRPOLBNOTUM
SCHEMBL18387574 0.81 UCHL1 (1.00) UCHL1USP30HSD17B10HSD11B1
SCHEMBL18387575 0.81 UCHL1 (1.00) UCHL1USP30HSD17B10HSD11B1
SCHEMBL1271972 0.79 UCHL1 (0.53) UCHL1USP30ALDH1A1TSHRHSD17B10
SCHEMBL29561144 0.79 UCHL1 (0.75) UCHL1USP30
SCHEMBL5795681 0.78 NOTUM (0.57) ALDH1A1TSHRNOTUMAVPR2SMN1; SMN2

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR UCHL1 4785/4885USP30 3752/4885ALDH1A1 3587/4885

“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.