SCHEMBL4969113

SCHEMBL4969113

CC(C)c1cccc(NC(=O)C(C)(C)Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GABRA1 P14867 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL30797039 0.79 PDK1 (0.50) LMNAKMT2ACETPPDK1PDK2
SCHEMBL4675699 0.79 PDK1 (0.50) LMNAKMT2ACETPPDK1PDK2
SCHEMBL4970400 0.78 LMNA (0.48) LMNACYP1A2CYP3A4FAAHCA1
SCHEMBL14302363 0.78 CETP (0.39) LMNACETPPDK1PDK2PDK3
SCHEMBL10358603 0.77 CA1 (0.47) LMNACYP1A2CYP3A4FAAHCA1
SCHEMBL4897496 0.77 CA1 (0.47) LMNACYP1A2CYP3A4FAAHCA1
SCHEMBL8023112 0.75 CETP (0.53) TSHRSMN1; SMN2CETPPDK1PDK2
SCHEMBL4969040 0.75 TSHR (0.44) LMNACYP1A2CYP3A4FAAHCA1
SCHEMBL1555152 0.73 GAA (0.54) LMNAHPGDGAAKMT2AMAPT
SCHEMBL5441135 0.73 KDM4E (0.43) LMNACYP1A2CYP3A4FAAHCA1

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 LMNA 4136/4885CYP1A2 1140/4885CYP3A4 3089/4885

“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.