SCHEMBL21087159

SCHEMBL21087159

CC(C)(C)C(=O)Cc1ccc(CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.46
ABAT P80404 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TPSAB1 Q15661 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
PSIP1 O75475 1/20 0.39
CES1 P23141 1/20 0.39
PLG P00747 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
KLK6 Q92876 1/20 0.38
F10 P00742 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL18751674 0.89 CES1 (0.46) KDM4ECES1CA2
SCHEMBL18116103 0.83 EPHX2 (0.44) LOXL2CES1CA2
SCHEMBL16722805 0.83 ELANE (0.52) KDM4ESMN1; SMN2CES1CA2
SCHEMBL18116111 0.81 CA2 (0.56) KDM4ECES1KLKB1CA2
SCHEMBL8980228 0.81 CA2 (0.56) KDM4ECA2
SCHEMBL11389533 0.81 HPGD (0.55) SMN1; SMN2CES1
SCHEMBL16886270 0.80 KMT2A (0.53) KDM4ESMN1; SMN2NOS1PLGCA2
SCHEMBL14254882 0.79 KDM4E (0.54) KDM4ESMN1; SMN2CES1
SCHEMBL8235929 0.79 KMT2A (0.46) KDM4ESMN1; SMN2
SCHEMBL1477511 0.79 L3MBTL1 (0.54)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058775-B2 Insulin dimer-incretin conjugates MERCK SHARP & DOHME CORP. (US) 2021-07-13 US disclosed
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-27 US disclosed
US-20190175744-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-13 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 (3 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-20190175744-A1 INSULIN-INCRETIN CONJUGATES GIPR, GLP1R, GCGR LOXL2 3306/4885ABAT 895/4885KDM4E 4683/4885
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES IAPP, GLP1R, GIPR LOXL2 4330/4885ABAT 208/4885KDM4E 4865/4885
US-11058775-B2 Insulin dimer-incretin conjugates IAPP, GLP1R, GIPR LOXL2 4330/4885ABAT 208/4885KDM4E 4865/4885

“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.