SCHEMBL629104

SCHEMBL629104

O=C(O)Cc1coc(-c2cc(Br)cc(C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 1/20 0.43
RXRA P19793 5/20 0.41
RXRB P28702 5/20 0.41
RXRG P48443 5/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NOTUM Q6P988 1/20 0.35

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
SCHEMBL628795 0.91 RXRA (0.49) S1PR1RXRARXRBRXRGPPARG
SCHEMBL629167 0.86 RXRA (0.53) RXRARXRBRXRGPPARGPPARA
SCHEMBL629626 0.82 RXRA (0.57) RXRARXRBRXRGPPARGPPARA
SCHEMBL10029593 0.81 LMNA (0.38) LMNAGAATSHRKMT2A
SCHEMBL628808 0.78 LMNA (0.41) RXRARXRBRXRGPPARGPPARA
SCHEMBL628021 0.76 PPARG (0.41) S1PR1RXRARXRBRXRGPPARG
SCHEMBL6971893 0.76 HDAC1 (0.54) LMNAGAATSHRKMT2A
SCHEMBL628071 0.75 LMNA (0.53) RXRARXRBRXRGLMNAGAA
SCHEMBL628001 0.75 LMNA (0.46) RXRARXRBRXRGPPARGPPARA
SCHEMBL10029562 0.73 LMNA (0.42) LMNAGAATSHRKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 S1PR1 1193/4885S1PR3 654/4885RXRA 11/4885

“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.