SCHEMBL5699100

SCHEMBL5699100

CCCC(C)NC(N)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
METAP1 P53582 2/20 0.33
CYP2D6 P10635 2/20 0.32
LMNA P02545 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
POLB P06746 2/20 0.32
GMNN O75496 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
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 1/20 0.32
UBE2N P61088 1/20 0.32
OPRM1 P35372 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL930124 0.81 TSHR (0.40) TSHRMETAP1CYP2D6LMNASPHK1
SCHEMBL22746311 0.75
SCHEMBL12583427 0.74 TSHR (0.38) TSHRCYP2D6POLBOPRM1ALDH1A1
SCHEMBL276383 0.74 TSHR (0.38) TSHRCYP2D6POLBOPRM1ALDH1A1
SCHEMBL16349710 0.73 SPHK1 (0.34) TSHRMETAP1SPHK1POLBOPRM1
Hydrochloric Acid SCHEMBL22575465 0.72 TSHR (0.36) TSHRCYP2D6POLBALDH1A1HPGD
SCHEMBL22641806 0.71 OPRM1 (0.33) METAP1OPRM1
SCHEMBL20434141 0.71 OPRM1 (0.33) TSHRMETAP1TP53CYP3A4OPRM1
SCHEMBL4233707 0.71
SCHEMBL7571426 0.70

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-2003099252-A1 COSMETIC COMPOSITIONS WITH HYDROXY AMINE SALTS OF MALONIC ACID UNILEVER PLC (GB) 2003-12-04 WO disclosed
WO-2003099253-A1 PERSONAL CARE COMPOSITIONS WITH HYDROXY AMINE NEUTRALIZED POLYMERS 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 TSHR 3448/4885METAP1 1140/4885CYP2D6 1165/4885
US-20030228337-A1 Personal care compositions with hydroxy amine neutralized polymers CUTA, PARN, POLH TSHR 3835/4885METAP1 776/4885CYP2D6 4115/4885
US-20040241131-A1 Compositions containing malonate salts in preventing in-grown hair arising from shaving DPM1, POLR1C, MSH6 TSHR 4651/4885METAP1 427/4885CYP2D6 1571/4885

“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.