SCHEMBL4992463

SCHEMBL4992463

CC(C)(O)C(C)(C)CCCC1=CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
ALOX15 P16050 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.33
RAB9A P51151 5/20 0.31
NPC1 O15118 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LMNA P02545 3/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 2/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17267390 0.89 ALDH1A1 (0.41) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL6565906 0.86 ALDH1A1 (0.41) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL111353 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
Formaldehyde SCHEMBL28262224 0.77 ALDH1A1 (0.47) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL9176557 0.74 ALDH1A1 (0.42) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
Pyrrole SCHEMBL28288914 0.74 ALDH1A1 (0.42) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL9755511 0.72 ALDH1A1 (0.41) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL10948510 0.72 ALDH1A1 (0.49) ALDH1A1ALOX15SMN1; SMN2RAB9ANPC1
SCHEMBL316396 0.71
SCHEMBL9933665 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 ALDH1A1 672/4885ALOX15 218/4885PKM 3878/4885

“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.