SCHEMBL18751690

SCHEMBL18751690

CC(C)(C)C(=O)C1CC(C(=O)C(C)(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM2 Q14416 1/20 0.30

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
SCHEMBL29515941 1.00 ALDH1A1 (0.33) ALDH1A1HBBHSD17B10GRM2
SCHEMBL18751689 0.88 POLB (0.34) ALDH1A1HBBHSD17B10
SCHEMBL12355150 0.86 ALDH1A1 (0.30) ALDH1A1HBBHSD17B10
SCHEMBL10031821 0.86 GRM2 (0.31) ALDH1A1HBBHSD17B10GRM2
SCHEMBL13661861 0.84 BTK (0.38) ALDH1A1HSD17B10
SCHEMBL25530270 0.84 EPHX1 (0.31)
SCHEMBL16501734 0.82 BTK (0.30)
SCHEMBL18751739 0.82 CHRNB2 (0.38)
SCHEMBL16704552 0.81 POLB (0.37) ALDH1A1HBBHSD17B10
SCHEMBL18751737 0.81 POLB (0.37) ALDH1A1HBBHSD17B10

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 ALDH1A1 4716/4885HBB 162/4885HSD17B10 2172/4885
US-10017556-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 ALDH1A1 4716/4885HBB 162/4885HSD17B10 2172/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ALDH1A1 4716/4885HBB 162/4885HSD17B10 2172/4885

“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.