SCHEMBL1114607

SCHEMBL1114607

CC(C)(CCCC(C)(C)C(=O)Cl)C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6275321 0.87 ACLY (0.34) ACLYACACBACACACYP4F2CYP4A11
SCHEMBL1410419 0.87 ALDH1A1 (0.44) ACLYCYP4F2CYP4A11ALDH1A1TP53
SCHEMBL1410499 0.85 ALDH1A1 (0.44) ALDH1A1TP53
SCHEMBL11286145 0.85 ACLY (0.42) ACLYACACBACACACYP4F2CYP4A11
SCHEMBL9229762 0.85 ACLY (0.33) ACLYACACBACACACYP4F2CYP4A11
SCHEMBL11813593 0.85 ALDH1A1 (0.48) ACLYACACBACACACYP4F2CYP4A11
SCHEMBL25078902 0.83 ALDH1A1 (0.48) ALDH1A1
SCHEMBL21117651 0.83 CYP4F2 (0.55) ACLYACACBACACACYP4F2CYP4A11
SCHEMBL8648600 0.83 ALDH1A1 (0.48) ALDH1A1
SCHEMBL25303536 0.83 ALDH1A1 (0.48) ALDH1A1

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
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP disclosed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP disclosed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP disclosed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US disclosed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP disclosed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO disclosed
US-4035437-A Polyamide resin compositions CELANESE CORPORATION (US) 1977-07-12 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 (1 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-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents SMURF1, SMURF2, PSEN1 ACLY 984/4885ACACB 421/4885ACACA 200/4885

“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.