SCHEMBL5699103

SCHEMBL5699103

CCCCN(C)CC(N)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.44
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
SPHK1 Q9NYA1 2/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM4C Q9H3R0 6/20 0.34
KDM5A P29375 4/20 0.34
KDM4A O75164 2/20 0.33
PHF8 Q9UPP1 1/20 0.33
CYP2D6 P10635 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL187965 0.86
SCHEMBL930127 0.82 CHRM2 (0.46) GGPS1
SCHEMBL17933337 0.81 GGPS1 (0.47) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL5885252 0.79 GGPS1 (0.46) GGPS1SPHK1S1PR2S1PR1S1PR3
SCHEMBL18612600 0.79 GGPS1 (0.46) GGPS1SPHK1S1PR2S1PR1S1PR3
SCHEMBL3650249 0.79 PLA2G1B (0.42) PLA2G1BPLA2G2ASPHK1CYP2D6GMNN
SCHEMBL20993769 0.77 AOC3 (0.34)
SCHEMBL28661962 0.76
SCHEMBL4227388 0.76 GGPS1 (0.43) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL5698971 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507511-B1 PERSONAL CARE COMPOSITIONS WITH HYDROXY AMINE NEUTRALIZED POLYMERS UNILEVER PLC (GB) 2006-07-26 EP disclosed
EP-1507511-A1 PERSONAL CARE COMPOSITIONS WITH HYDROXY AMINE NEUTRALIZED POLYMERS UNILEVER PLC (GB) 2005-02-23 EP disclosed
EP-1507512-A1 COSMETIC COMPOSITIONS WITH HYDROXY AMINE SALTS OF MALONIC ACID UNILEVER PLC (GB) 2005-02-23 EP disclosed
US-20040241131-A1 Compositions containing malonate salts in preventing in-grown hair arising from shaving UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-12-02 US disclosed
US-20030228337-A1 Personal care compositions with hydroxy amine neutralized polymers UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-12-11 US disclosed
WO-2003099253-A1 PERSONAL CARE COMPOSITIONS WITH HYDROXY AMINE NEUTRALIZED POLYMERS UNILEVER PLC (GB) 2003-12-04 WO disclosed
WO-2003099252-A1 COSMETIC COMPOSITIONS WITH HYDROXY AMINE SALTS OF MALONIC ACID UNILEVER PLC (GB) 2003-12-04 WO disclosed
US-20030224023-A1 Cosmetic compositions with hydroxy amine salts of malonic acid UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-12-04 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 (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-20030224023-A1 Cosmetic compositions with hydroxy amine salts of malonic acid CUTA, TYR, DDC GGPS1 3654/4885PLA2G1B 2981/4885PLA2G2A 1956/4885
US-20030228337-A1 Personal care compositions with hydroxy amine neutralized polymers CUTA, PARN, POLH GGPS1 4626/4885PLA2G1B 2561/4885PLA2G2A 2714/4885
US-20040241131-A1 Compositions containing malonate salts in preventing in-grown hair arising from shaving DPM1, POLR1C, MSH6 GGPS1 1430/4885PLA2G1B 4033/4885PLA2G2A 3773/4885

“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.