SCHEMBL715609

SCHEMBL715609

NC1(OC(=O)OC2(N)CCCCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10788939 0.83 NPSR1 (0.38) USP2CYP1A2
SCHEMBL2831752 0.82 TSHR (0.36) TSHRCYP2C19USP2ALDH1A1LMNA
SCHEMBL1840485 0.82 TSHR (0.36) TSHRCYP2C19USP2ALDH1A1LMNA
SCHEMBL1935525 0.82 TSHR (0.36) TSHRCYP2C19USP2ALDH1A1LMNA
SCHEMBL2192555 0.82 TSHR (0.36) TSHRCYP2C19USP2ALDH1A1LMNA
SCHEMBL2832088 0.82 TSHR (0.36) TSHRCYP2C19USP2ALDH1A1LMNA
SCHEMBL6859632 0.81 CYP2C19 (0.47) CYP2C19
Methane SCHEMBL2480640 0.80 TSHR (0.34) TSHRCYP2C19USP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11579187 0.80 TSHR (0.34) TSHRCYP2C19USP2ALDH1A1LMNA
SCHEMBL1020071 0.79 ALDH1A1 (0.32) TSHRCYP2C19ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518080-B1 Antibiotic peptides AMP THERAPEUTICS GMBH (DE) 2016-05-18 EP claimed
EP-2170928-B1 ANTIBIOTIC PEPTIDES AMP THERAPEUTICS GMBH (DE) 2013-07-03 EP claimed
EP-2518080-A2 Antibiotic peptides AMP-Therapeutics GmbH & Co. KG (DE) 2012-10-31 EP claimed
CN-101801995-A Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2010-08-11 CN claimed
EP-1688126-B1 GLYCYLGLYCINE AS PARAKERATOSIS INHIBITOR SHISEIDO CO LTD (JP) 2017-08-23 EP disclosed
US-8586638-B2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY, LTD (JP) 2013-11-19 US disclosed
CN-101801995-B Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2013-10-30 CN disclosed
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-10-04 US disclosed
EP-2491981-A2 Parakeratosis inhibitor and external composition for skin SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
EP-2491980-A2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
US-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-03-01 US disclosed
CN-101801995-A Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2010-08-11 CN disclosed
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use SHISEIDO COMPANY LTD. (JP) 2007-09-27 US disclosed
EP-1688126-A1 PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-09 EP 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-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, DNPEP TSHR 4754/4885CYP2C19 4048/4885USP2 1779/4885
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, PRSS1 TSHR 4725/4885CYP2C19 3760/4885USP2 2130/4885
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use CUTA, HPN, DNPEP TSHR 4754/4885CYP2C19 4048/4885USP2 1779/4885

“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.