SCHEMBL4968645

SCHEMBL4968645

CC(C)c1cccc(NCC(Br)C(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
GABRB1 P18505 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 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

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 0.83 IDO1 (0.34) GABRA1GABRB2CA2IDO1ALDH1A1
SCHEMBL4968352 0.83 ALDH1A1 (0.41) GABRA1GABRB2CYP1A2CYP3A4CA1
SCHEMBL4969957 0.81 ALDH1A1 (0.38) CYP3A4LMNASLC6A2SMN1; SMN2IDO1
SCHEMBL4968639 0.80 GABRA1 (0.47) GABRA1GABRB2CA2POLBIDO1
SCHEMBL4968083 0.79 CA2 (0.46) GABRA1GABRB2CA2TSHRSIGMAR1
SCHEMBL4970188 0.77 IDO1 (0.44) GABRA1GABRB2CA2LMNAHPGD
SCHEMBL4970048 0.74 USP2 (0.34) CYP1A2PTGS1SLC6A2USP2CYP2D6
SCHEMBL4972088 0.73 IDO1 (0.44) IDO1KMT2AMEN1ALDH1A1MAPT
SCHEMBL10358603 0.71 CA1 (0.47) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL4897496 0.71 CA1 (0.47) GABRA1GABRG2GABRB3GABRB2CYP1A2

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 GABRA1 3227/4885GABRG2 3787/4885GABRB3 3512/4885

“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.