SCHEMBL3497698

SCHEMBL3497698

CC(C)(C)Oc1ccc(C[C@@H](Br)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.49
LDHA P00338 1/20 0.47
PTPN1 P18031 1/20 0.46
PPARA Q07869 8/20 0.45
PPARG P37231 4/20 0.45
CNR1 P21554 6/20 0.41
CNR2 P34972 5/20 0.41
ABCB1 P08183 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL12040135 0.82 ACACB (0.53) ACACBLDHAPTPN1PPARAPPARG
SCHEMBL4455664 0.82 ACACB (0.50) ACACBLDHAPTPN1PPARAPPARG
SCHEMBL4468813 0.82 ACACB (0.50) ACACBLDHAPTPN1PPARAPPARG
SCHEMBL5748284 0.81 LDHA (0.71) LDHAPPARAPPARG
SCHEMBL1258519 0.81 PTPN1 (0.68) ACACBLDHAPTPN1PPARG
SCHEMBL2118353 0.81 PTPN1 (0.68) ACACBLDHAPTPN1PPARG
SCHEMBL2867832 0.81 PTPN1 (0.68) ACACBLDHAPTPN1PPARG
SCHEMBL14728212 0.80 LDHA (0.44) LDHAPTPN1PPARAPPARG
Hydrochloric Acid SCHEMBL2309162 0.79 PTPN1 (0.67) ACACBLDHAPTPN1
SCHEMBL4462336 0.79 PPARA (0.57) ACACBLDHAPPARAPPARG

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
US-20100168443-A1 Ethoid-Containing Compounds, Methods for Preparing Ethoid-Containing Compounds, and Methods of Use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-07-01 US disclosed
WO-2008058016-A2 ETHOID-CONTAINING COMPOUNDS, METHODS FOR PREPARING ETHOID-CONTAINING COMPOUNDS, AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-15 WO 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-20100168443-A1 Ethoid-Containing Compounds, Methods for Preparing Ethoid-Containing Compounds, and Methods of Use PARG, POLH, PHOSPHO1 ACACB 2055/4885LDHA 2827/4885PTPN1 4411/4885

“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.