SCHEMBL4968569

SCHEMBL4968569

CC(C)C(Br)CNc1cc(C(C)(C)C)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 3/20 0.39
WDR5 P61964 1/20 0.38
VDR P11473 1/20 0.37
RORC P51449 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HSD17B2 P37059 3/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4968425 0.87 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4971180 0.80 GAA (0.42) TDP1MAPTMEN1KMT2AGAA
SCHEMBL4968146 0.79 POLB (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4970188 0.78 IDO1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4211344 0.76 ALDH1A1 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4968083 0.73 CA2 (0.46) ALDH1A1TDP1MAPTKMT2AGAA
SCHEMBL4971647 0.73 SMN1; SMN2 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4968558 0.72 MEN1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL8168047 0.72 ALDH1A1 (0.49) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4972478 0.71 TRPA1 (0.41) ALDH1A1TDP1MAPTMEN1KMT2A

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 ALDH1A1 142/4885HPGD 2310/4885ALOX15 443/4885

“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.