SCHEMBL677624

SCHEMBL677624

CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.68
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 6/20 0.59
PLA2G4A P47712 1/20 0.54
PPARG P37231 2/20 0.53
PPARA Q07869 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL677599 0.98 RARB (0.71) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL18314362 0.98 RARB (0.71) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7909288 0.97 RARB (0.63) RARBTP53TSHRPLA2G4BL3MBTL1
SCHEMBL19130182 0.95 TP53 (0.66) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL19130711 0.94 TP53 (0.69) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL13385664 0.94 TP53 (0.69) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL19130183 0.94 TP53 (0.69) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9378715 0.92 TSHR (0.60) RARBTP53TSHRPLA2G4BL3MBTL1
SCHEMBL10746659 0.87 RARB (0.68) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9327561 0.87 RARB (0.68) RARBTP53TSHRPLA2G4BPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321251-A1 LIPOSOME FORMULATION CONTAINING ANTIBACTERIAL AGENT OSAKA UNIVERSITY (JP) 2023-10-12 US disclosed
US-20120190613-A1 ECHINOCANDIN DERIVATIVES JAMES JR KENNETH DUKE (US) 2012-07-26 US disclosed
US-7902148-B2 Use of an echinocandin antifungal agent in combination with a glycopeptide antibacterial agent THERAVANCE, INC. (US) 2011-03-08 US disclosed
WO-2011025875-A1 ECHINOCANDIN DERIVATIVES SEACHAID PHARMACEUTICALS, INC. (US) 2011-03-03 WO disclosed
US-20090221470-A1 USE OF AN ECHINOCANDIN ANTIFUNGAL AGENT IN COMBINATION WITH A GLYCOPEPTIDE ANTIBACTERIAL AGENT CUMBERLAND PHARMACEUTICALS INC. 2009-09-03 US disclosed
US-7452861-B2 Use of an echinocandin antifungal agent in combination with a glycopeptide antibacterial agent THERAVANCE, INC. (US) 2008-11-18 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 (3 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-20230321251-A1 LIPOSOME FORMULATION CONTAINING ANTIBACTERIAL AGENT LIPA, LIPG, LIPC RARB 2288/4885TP53 4436/4885TSHR 2690/4885
US-20120190613-A1 ECHINOCANDIN DERIVATIVES ERG28, DPM1, EML4 RARB 4179/4885TP53 1662/4885TSHR 4636/4885
US-20090221470-A1 USE OF AN ECHINOCANDIN ANTIFUNGAL AGENT IN COMBINATION WITH A GLYCOPEPTIDE ANTIBACTERIAL AGENT DPM1, ERG28, ENGASE RARB 4821/4885TP53 2761/4885TSHR 4080/4885

“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.