SCHEMBL21099952

SCHEMBL21099952

CC(C)C(=O)Cc1cccc(CC(=O)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
CYP1A2 P05177 2/20 0.43
SLC7A5 Q01650 1/20 0.42
F10 P00742 1/20 0.42
TSHR P16473 1/20 0.41
CTBP2 P56545 1/20 0.40
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 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
SCHEMBL10137789 0.92 AKR1B1 (0.52) ITGA4ITGB7CYP1A2SLC7A5TSHR
SCHEMBL23314140 0.91 GABRA1 (0.44) ITGA4ITGB7CYP1A2SLC7A5F10
SCHEMBL25564330 0.91 LOXL2 (0.47) ITGA4ITGB7CYP1A2SLC7A5F10
SCHEMBL8936324 0.88 CTBP2 (0.51) ITGA4ITGB7CYP1A2CTBP2
SCHEMBL10137770 0.88 CTBP2 (0.54) ITGA4ITGB7CTBP2POLB
SCHEMBL21649896 0.87 PTGES (0.48) ITGA4ITGB7
SCHEMBL10137783 0.87 CTBP2 (0.54) TSHRCTBP2
SCHEMBL10137784 0.87 SLC1A1 (0.46) F10TSHRCYP2C19
SCHEMBL12553242 0.87 HDAC4 (0.44) ITGA4ITGB7CYP1A2F10
SCHEMBL25862861 0.87 MAOA (0.44) ITGA4ITGB7F10

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-20210206963-A1 COPOLYMER BLENDS BIOME BIOPLASTICS LIMITED (GB) 2021-07-08 US disclosed
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS 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 (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-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ITGA4 2895/4885ITGB7 1521/4885CYP1A2 3000/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 ITGA4 2895/4885ITGB7 1521/4885CYP1A2 3000/4885

“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.