SCHEMBL195776

SCHEMBL195776

NCCCC[C@@H](C(=O)O)N1C(=O)CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
CPB2 Q96IY4 6/20 0.38
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
FOLH1 Q04609 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6794551 0.98 ALDH1A1 (0.42) ALDH1A1PKMGSRRNPEPCPB2
SCHEMBL1696964 0.97 ALDH1A1 (0.46) ALDH1A1PKMGSRRNPEPCPB2
SCHEMBL28490356 0.93 ALDH1A1 (0.49) ALDH1A1PKMGSRRNPEPCPB2
SCHEMBL1696971 0.93 ALDH1A1 (0.49) ALDH1A1PKMGSRRNPEPCPB2
SCHEMBL1437767 0.88 ALDH1A1 (0.50) ALDH1A1PKMGSRRNPEPCPB2
SCHEMBL1696968 0.87 GSR (0.44) ALDH1A1PKMGSRRNPEPCPB2
SCHEMBL1696991 0.84 ALDH1A1 (0.41) ALDH1A1PKMGSRRNPEPCPB2
SCHEMBL1696978 0.83 ALDH1A1 (0.40) ALDH1A1PKMGSRRNPEPCPB2
Lysine SCHEMBL5606291 0.80 GSR (0.48) ALDH1A1PKMGSRCYP1A2CYP2C19
SCHEMBL1679404 0.77 ALDH1A1 (0.46) ALDH1A1PKMFOLH1CYP1A2CYP2C19

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153165-A1 MICROCAPSELS CONTAINING AN ALGICIDE AND A MELAMINE-FORMALDEHYDE POLYMER LANXESS DEUTSCHLAND GMBH (DE) 2018-06-07 US claimed
US-20160088837-A1 MICROCAPSELS CONTAINING AN ALGICIDE AND A MELAMINE-FORMALDEHYDE POLYMER LANXESS DEUTSCHLAND GMBH (DE) 2016-03-31 US claimed
US-6048520-A APPLYING CAPSULES WITH WATER INSOLUBLE CONDITIONING COMPOUND; SUSPENSION; BREAKING, RELEASING WHILE CONCURRENTLY DISINTEGRATING SHELL HELENE CURTIS, INC. (US) 2000-04-11 US claimed
EP-0590538-B1 Clear leave-on treatment composition and method CURTIS HELENE IND INC (US) 1996-11-27 EP claimed
EP-0590538-A1 Clear leave-on treatment composition and method HELENE CURTIS, INC. (US) 1994-04-06 EP claimed
EP-3427718-B1 NON-ALCOHOL BIOACTIVE ESSENTIAL OIL MOUTH RINSES JOHNSON & JOHNSON CONSUMER INC (US) 2022-07-06 EP disclosed
US-10993894-B2 Methods of preparing non-alcohol bioactive essential oil mouth rinses JOHNSON & JOHNSON CONSUMER INC. (US) 2021-05-04 US disclosed
US-20210085578-A9 Methods of Preparing Non-Alcohol Bioactive Essential Oil Mouth Rinses KENVUE BRANDS LLC 2021-03-25 US disclosed
EP-2371348-B9 Oral care composiion JOHNSON & JOHNSON CONSUMER INC (US) 2019-11-06 EP disclosed
US-10434050-B2 Methods of preparing non-alcohol bioactive essential oil mouth rinses JOHNSON & JOHNSON CONSUMER INC. (US) 2019-10-08 US disclosed
EP-3528776-A1 REDUCED-ETHANOL MOUTH RINSE FORMULATIONS Johnson & Johnson Consumer Inc. (US) 2019-08-28 EP disclosed
EP-2371347-B1 Oral care compositions JOHNSON & JOHNSON CONSUMER INC (US) 2019-06-12 EP disclosed
WO-2000040213-A1 HAIR CONDITIONING LAYERED GEL COMPOSITION CONTAINING A HIGH MELTING POINT COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO disclosed
US-6048520-A APPLYING CAPSULES WITH WATER INSOLUBLE CONDITIONING COMPOUND; SUSPENSION; BREAKING, RELEASING WHILE CONCURRENTLY DISINTEGRATING SHELL HELENE CURTIS, INC. (US) 2000-04-11 US disclosed
WO-2000006089-A1 HAIR CONDITIONING COMPOSITION COMPRISING CARBOXYLIC ACID/CARBOXYLATE COPOLYMER, AND VISIBLE PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2000-02-10 WO disclosed
WO-2000006098-A1 HAIR CONDITIONING COMPOSITION COMPRISING CARBOXYLIC ACID/CARBOXYLATE COPOLYMER, SILICONE COMPOUND, AND HIGH MELTING POINT COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2000-02-10 WO disclosed
WO-2000006097-A1 HAIR CONDITIONING COMPOSITION COMPRISING CARBOXYLIC ACID/CARBOXYLATE COPOLYMER AND AMPHOTERIC CONDITIONING AGENT THE PROCTER & GAMBLE COMPANY (US) 2000-02-10 WO disclosed
WO-2000006090-A1 TRANSPARENT HAIR CONDITIONING COMPOSITION COMPRISING BREAKABLE VISIBLE PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2000-02-10 WO disclosed
EP-0590538-B1 Clear leave-on treatment composition and method CURTIS HELENE IND INC (US) 1996-11-27 EP disclosed
EP-0590538-A1 Clear leave-on treatment composition and method HELENE CURTIS, INC. (US) 1994-04-06 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 (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-20180153165-A1 MICROCAPSELS CONTAINING AN ALGICIDE AND A MELAMINE-FORMALDEHYDE POLYMER ALG1, MLEC, MASTL ALDH1A1 2662/4885PKM 1841/4885GSR 1296/4885
US-20160088837-A1 MICROCAPSELS CONTAINING AN ALGICIDE AND A MELAMINE-FORMALDEHYDE POLYMER ALG1, MLEC, MASTL ALDH1A1 2662/4885PKM 1841/4885GSR 1296/4885

“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.