SCHEMBL6984438

SCHEMBL6984438

CCC(=O)CC(C)(C)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 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
SCHEMBL11831904 0.82 KDM4E (0.31) TDP1KDM4EFFAR1CPT2
SCHEMBL13882722 0.79 TDP1 (0.38) TDP1
SCHEMBL9009508 0.79 TDP1 (0.47) TDP1FFAR3ALDH1A1KDM4EFFAR1
SCHEMBL270702 0.78
SCHEMBL13343045 0.77 TSHR (0.38) TDP1ALDH1A1KDM4EFFAR1CPT2
SCHEMBL13226040 0.76 TDP1 (0.39) TDP1
SCHEMBL14139514 0.75 TDP1 (0.43) TDP1FFAR3ALDH1A1KDM4EFFAR1
SCHEMBL12856106 0.75 TDP1 (0.43) TDP1FFAR3ALDH1A1KDM4EFFAR1
SCHEMBL13545214 0.75 TDP1 (0.50) TDP1FFAR3ALDH1A1KDM4EFFAR1
SCHEMBL18844718 0.75 ALDH1A1 (0.35) TDP1ALDH1A1KDM4EFFAR1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
US-20150306240-A1 HYDROXYL-POLYMER-DRUG-PROTEIN CONJUGATES MERSANA THERAPEUTICS, INC. 2015-10-29 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR TDP1 3233/4885FFAR3 104/4885ALDH1A1 4808/4885
US-20150306240-A1 HYDROXYL-POLYMER-DRUG-PROTEIN CONJUGATES PBRM1, HDGFL3, CLTB TDP1 3529/4885FFAR3 3136/4885ALDH1A1 2344/4885

“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.