SCHEMBL5699101

SCHEMBL5699101

CCCCN(C)NCCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
DNM1 Q05193 5/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC29A1 Q99808 2/20 0.32
NAAA Q02083 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2886639 0.83 DNM1 (0.36) ALDH1A1DNM1LMNATSHRALDH2
SCHEMBL2883356 0.83 TSHR (0.38) ALDH1A1DNM1LMNATSHRALDH2
SCHEMBL10719321 0.81 TSHR (0.43) ALDH1A1DNM1TSHR
SCHEMBL3650243 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2DNM1LMNATSHR
SCHEMBL14391581 0.80
SCHEMBL21016410 0.76 DNM1 (0.46) ALDH1A1DNM1TSHR
SCHEMBL2852729 0.76 DNM1 (0.46) ALDH1A1DNM1TSHRCA12CA1
SCHEMBL5698970 0.75
SCHEMBL2885824 0.75
SCHEMBL1492466 0.74 DNM1 (0.50) ALDH1A1DNM1TSHR

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 ALDH1A1 281/4885SMN1; SMN2 3395/4885DNM1 1170/4885
US-20030228337-A1 Personal care compositions with hydroxy amine neutralized polymers CUTA, PARN, POLH ALDH1A1 1635/4885SMN1; SMN2 2216/4885DNM1 1344/4885
US-20040241131-A1 Compositions containing malonate salts in preventing in-grown hair arising from shaving DPM1, POLR1C, MSH6 ALDH1A1 669/4885SMN1; SMN2 3878/4885DNM1 369/4885

“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.