SCHEMBL4969102

SCHEMBL4969102

Cc1cc(C)c(O)c(NCC(Br)C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.34
HSD17B2 P37059 1/20 0.34
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
GLA P06280 1/20 0.31
VDR P11473 1/20 0.31

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
SCHEMBL4971229 1.00 GAA (0.35) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL4968434 1.00 GAA (0.35) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL4968603 0.84 MEN1 (0.32) MAPTLMNAHTT
SCHEMBL4970612 0.84 MEN1 (0.32) MAPTLMNAHTT
SCHEMBL4967541 0.84 ATM (0.34) LMNA
SCHEMBL4969111 0.84 ATM (0.34) LMNA
SCHEMBL4970152 0.83 ALOX5 (0.33) VDR
SCHEMBL4968352 0.77 ALDH1A1 (0.41) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL4971180 0.77 GAA (0.42) GAAMAPTLMNAHTT
SCHEMBL4972478 0.74 TRPA1 (0.41) GAAMAPTKDM4EALDH1A1LMNA

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 GAA 783/4885MAPT 387/4885KDM4E 2164/4885

“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.