SCHEMBL4968352

SCHEMBL4968352

Cc1cccc(NCC(Br)C(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KDR P35968 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SCN4A P35499 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4971523 0.84 IDO1 (0.34) ALDH1A1IDO1GABRA1GABRB2CA2
SCHEMBL4969957 0.83 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AIDO1
SCHEMBL4968645 0.83 GABRA1 (0.48) ALDH1A1MAPTHSD17B10MAPK1LMNA
SCHEMBL4968639 0.81 GABRA1 (0.47) ALDH1A1MAPTHSD17B10TP53GAA
SCHEMBL4968083 0.80 CA2 (0.46) ALDH1A1MAPTGAAKMT2AIDO1
SCHEMBL4970188 0.78 IDO1 (0.44) ALDH1A1MAPTHSD17B10TP53GAA
SCHEMBL1859702 0.77 ALDH1A1 (0.41) ALDH1A1TRPA1MAPTHSD17B10TP53
SCHEMBL4968434 0.77 GAA (0.35) ALDH1A1MAPTGAALMNAHTT
SCHEMBL4969111 0.75 ATM (0.34) LMNAMEN1KMT2AGABRA1SCN4A
SCHEMBL4967541 0.75 ATM (0.34) LMNAMEN1KMT2AGABRA1SCN4A

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 142/4885TRPA1 1314/4885MAPT 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.