SCHEMBL4968558

SCHEMBL4968558

CC(C)C(Br)C(=O)Nc1cc(C(C)(C)C)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.41
WDR5 P61964 1/20 0.40
HIF1A Q16665 1/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
CHRNA7 P36544 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
PLG P00747 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
KLK6 Q92876 1/20 0.38

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
SCHEMBL4968419 0.87 KMT2A (0.66) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4971171 0.81 GAA (0.57) MEN1KMT2AMAPTHTTGAA
SCHEMBL10359093 0.79 KCNMA1 (0.44) MEN1KMT2AMAPTHPGDHTT
SCHEMBL4968141 0.79 KCNMA1 (0.53) MEN1KMT2AMAPTHPGDALOX15
SCHEMBL10359687 0.77 HTT (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14354625 0.77 POLB (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17026913 0.76 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL18581589 0.76 KDM4E (0.55) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6030714 0.75 KCNMA1 (0.56) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL4970182 0.75 HPGD (0.56) MEN1KMT2AMAPTHPGDTDP1

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 MEN1 4288/4885KMT2A 1121/4885MAPT 387/4885

“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.