SCHEMBL4654602

SCHEMBL4654602

CC(C)OC(=O)NCC1CCC(C(=O)O)CC1.c1ccc2c(c1)O2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
VCP P55072 3/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Biphenyl SCHEMBL4757940 0.89 VCP (0.48) KMT2AMEN1VCP
SCHEMBL8226327 0.86 KMT2A (0.56) KMT2AALDH1A1MEN1POLBCTDSP1
SCHEMBL4654689 0.80 KMT2A (0.48) KMT2AALDH1A1MEN1
SCHEMBL914468 0.79 KMT2A (0.45) KMT2AALDH1A1MEN1VCP
SCHEMBL914469 0.79 KMT2A (0.45) KMT2AALDH1A1MEN1VCP
SCHEMBL8291594 0.77 TDP1 (0.47) KMT2AALDH1A1MEN1TDP1
SCHEMBL915910 0.77 KMT2A (0.43) KMT2AMEN1VCP
SCHEMBL915909 0.77 KMT2A (0.43) KMT2AMEN1VCP
SCHEMBL915159 0.75 VCP (0.43) KMT2AALDH1A1MEN1VCP
SCHEMBL915160 0.75 VCP (0.43) KMT2AALDH1A1MEN1VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 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 (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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC KMT2A 998/4885ALDH1A1 2963/4885HPGD 3285/4885

“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.