SCHEMBL113352

SCHEMBL113352

CC(CCO)CCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.43
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
METAP2 P50579 1/20 0.35
PTPN1 P18031 2/20 0.35
SIGMAR1 Q99720 3/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6564247 0.98 METAP1 (0.40) METAP1CYP1A2ALDH1A1ALOX15METAP2
SCHEMBL29102100 0.85 METAP1 (0.44) METAP1CYP1A2METAP2SIGMAR1
SCHEMBL4761985 0.82 MAPT (0.37) ALDH1A1ALOX15PTPN1MAPT
SCHEMBL24199 0.81 CTSK (0.36) ALDH1A1ALOX15
SCHEMBL22127323 0.80 MAPT (0.41) ALDH1A1ALOX15PTPN1MAPT
SCHEMBL4761984 0.80 MAPT (0.36) ALDH1A1ALOX15PTPN1MAPT
SCHEMBL28058465 0.79 METAP1 (0.43) METAP1CYP1A2METAP2SIGMAR1MAPT
SCHEMBL4761987 0.79 LIPA (0.38) ALDH1A1ALOX15PTPN1MAPT
SCHEMBL7634653 0.78 CYP1A2 (0.48) METAP1CYP1A2METAP2SIGMAR1
SCHEMBL24144 0.78 ALDH1A1 (0.34) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172016-B1 Fragrance materials BUSH BOAKES ALLEN INC. 2001-01-09 US claimed
EP-3142632-A1 ANTIPERSPIRANT DEODORANT COSMETIC COMPOSITION HAVING DERMO-CALMING ACTION Natura Cosméticos S.A. (BR) 2017-03-22 EP disclosed
US-20150328099-A1 Antitranspirant Deodorant Cosmetic Composition Having Dermo-Calming Action NATURA COSMÉTICOS S.A (BR) 2015-11-19 US disclosed
WO-2015172221-A1 ANTIPERSPIRANT DEODORANT COSMETIC COMPOSITION HAVING DERMO-CALMING ACTION Natura Cosméticos S.A. (BR) 2015-11-19 WO disclosed
EP-2424829-B1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2015-01-07 EP disclosed
EP-2424829-B1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2015-01-07 EP disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
US-6172016-B1 Fragrance materials BUSH BOAKES ALLEN INC. 2001-01-09 US disclosed
US-6172016-B1 Fragrance materials BUSH BOAKES ALLEN INC. 2001-01-09 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-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B METAP1 1472/4885CYP1A2 319/4885ALDH1A1 123/4885

“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.