SCHEMBL4968146

SCHEMBL4968146

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MEN1 O00255 10/20 0.41
KMT2A Q03164 10/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KCNMA1 Q12791 6/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 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
SCHEMBL4968635 0.88 CXCR2 (0.38) POLBMEN1KMT2AHPGDMAPT
SCHEMBL4971180 0.83 GAA (0.42) POLBMEN1KMT2AMAPTHTT
SCHEMBL4970188 0.80 IDO1 (0.44) MEN1KMT2AHPGDMAPTHTT
SCHEMBL4968569 0.79 ALDH1A1 (0.43) MEN1KMT2AHPGDMAPTHTT
SCHEMBL4968980 0.78 ALDH1A1 (0.39) POLBMEN1KMT2AHPGDMAPT
SCHEMBL4970133 0.78 ALDH1A1 (0.39) POLBMEN1KMT2AHPGDMAPT
SCHEMBL4968425 0.78 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4967541 0.77 ATM (0.34) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4969111 0.77 ATM (0.34) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4971647 0.76 SMN1; SMN2 (0.52) POLBMEN1KMT2AHPGDMAPT

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 POLB 4733/4885MEN1 4288/4885KMT2A 1121/4885

“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.