SCHEMBL18751691

SCHEMBL18751691

CC(C)(C)C(=O)Cc1ccccc1CC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
AKR1B1 P15121 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CES1 P23141 1/20 0.39
HIF1A Q16665 1/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
TSHR P16473 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
SCHEMBL13543165 0.87 CTBP2 (0.51) HSD11B1ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL10419287 0.87 AKR1B1 (0.61) HSD11B1AKR1B1GABRA1GABRB2ALDH1A1
SCHEMBL8906082 0.87 SLC6A4 (0.40) HSD11B1ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL8446184 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9AMAPK1
SCHEMBL13012097 0.86 RIPK1 (0.49) HSD11B1ALDH1A1KMT2ARAB9A
SCHEMBL19224348 0.86 ALDH1A1 (0.42) HSD11B1AKR1B1ALDH1A1HTTNR1H4
SCHEMBL8677292 0.86 RIPK1 (0.49) HSD11B1ALDH1A1RAB9AMAPK1
SCHEMBL20355736 0.84 BCAT2 (0.41) HSD11B1AKR1B1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL12680316 0.84 ALDH1A1 (0.42) HSD11B1AKR1B1GABRA1GABRB2ALDH1A1
SCHEMBL5673265 0.83 DUSP3 (0.47) HSD11B1AKR1B1GABRA1GABRB2KMT2A

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-10017556-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 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-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 HSD11B1 2587/4885AKR1B1 1623/4885GABRA1 184/4885
US-10017556-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 HSD11B1 2587/4885AKR1B1 1623/4885GABRA1 184/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 HSD11B1 2587/4885AKR1B1 1623/4885GABRA1 184/4885

“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.