SCHEMBL18890276

SCHEMBL18890276

CC(C)(C)OC(=O)Nc1ccccc1C(=O)ON1C(=O)CCC1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 4/20 0.39
IDO1 P14902 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9890035 0.82 RXFP1 (0.46) RXFP1KMT2AMEN1KDM4EIDO1
SCHEMBL21164304 0.79 ALDH1A1 (0.43) RXFP1KMT2AMEN1KDM4EIDO1
SCHEMBL29663621 0.75 RXFP1 (0.55) RXFP1KMT2AMEN1KDM4EIDO1
SCHEMBL9330701 0.74 KMT2A (0.61) RXFP1KMT2AKDM4ETSHRALDH1A1
SCHEMBL19221305 0.74 RXFP1 (0.39) RXFP1KMT2AMEN1KDM4EIDO1
SCHEMBL12292165 0.73 RXFP1 (0.53) RXFP1KMT2AMEN1KDM4EIDO1
SCHEMBL28033115 0.72 RXFP1 (0.52) RXFP1KMT2AMEN1KDM4EIDO1
SCHEMBL21180804 0.70 KMT2A (0.42) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL3336547 0.70 PKM (0.57) RXFP1KMT2AKDM4EALDH1A1LMNA
SCHEMBL222446 0.70 RXFP1 (0.55) RXFP1KMT2AMEN1KDM4ELMNA

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-10358452-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of hydrocodone, prodrugs, methods of making and uses thereof KEMPHARM, INC. (US) 2019-07-23 US disclosed
US-20170143696-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF HYDROCODONE, PRODRUGS, METHODS OF MAKING AND USES THEREOF ALTER DOMUS (US) LLC 2017-05-25 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-20170143696-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF HYDROCODONE, PRODRUGS, METHODS OF MAKING AND USES THEREOF CYP2B6, CYP3A43, CYP2D6 RXFP1 1395/4885KMT2A 780/4885MEN1 4311/4885
US-10358452-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of hydrocodone, prodrugs, methods of making and uses thereof CYP2B6, CYP3A43, CYP2D6 RXFP1 1395/4885KMT2A 780/4885MEN1 4311/4885

“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.