SCHEMBL4969176

SCHEMBL4969176

CC(C)C(Br)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.37
GPR35 Q9HC97 3/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAPT P10636 1/20 0.34
PTPN5 P54829 1/20 0.34
AKT1 P31749 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL4968419 0.80 KMT2A (0.66) KMT2AMEN1HTTTMPRSS4ALDH1A1
SCHEMBL17026913 0.77 KMT2A (0.50) KMT2AMEN1HTTTMPRSS4ALDH1A1
SCHEMBL29316976 0.76 ALDH1A1 (0.48) KMT2AMEN1GPR35TMPRSS4ALDH1A1
SCHEMBL4969184 0.74 IL1B (0.33) GPR35NOTUMPTPN5
SCHEMBL4968978 0.71 HSPA5 (0.49) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL4968965 0.71 HSPA5 (0.49) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL4970600 0.70 HTT (0.39) KMT2AMEN1HTTGPR35ALDH1A1
SCHEMBL4968591 0.70 HTT (0.39) KMT2AMEN1HTTGPR35ALDH1A1
SCHEMBL4968432 0.70 GAA (0.41) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL4971218 0.70 GAA (0.41) KMT2AMEN1HTTALDH1A1LMNA

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 KMT2A 1121/4885MEN1 4288/4885HTT 772/4885

“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.