SCHEMBL677559

SCHEMBL677559

CCCCCCCCOc1ccc(-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.58
NR5A1 Q13285 1/20 0.56
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
SLC2A1 P11166 1/20 0.54
LTA4H P09960 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL12537108 1.00 RARB (0.58) RARBNR5A1CYP3A4CYP2D6SLC2A1
SCHEMBL18314262 1.00 RARB (0.58) RARBNR5A1CYP3A4CYP2D6SLC2A1
SCHEMBL17946790 1.00 RARB (0.58) RARBNR5A1CYP3A4CYP2D6SLC2A1
SCHEMBL12537090 0.98 CYP3A4 (0.56) RARBNR5A1CYP3A4CYP2D6SLC2A1
SCHEMBL16557180 0.98 CYP3A4 (0.56) RARBNR5A1CYP3A4CYP2D6SLC2A1
SCHEMBL12537096 0.95 NR5A1 (0.61) NR5A1SLC2A1LTA4HLMNATP53
SCHEMBL8123234 0.95 NR5A1 (0.61) NR5A1SLC2A1LTA4HLMNATP53
SCHEMBL21655109 0.95 NR5A1 (0.61) NR5A1SLC2A1LTA4HLMNATP53
SCHEMBL15000418 0.95 NR5A1 (0.61) NR5A1SLC2A1LTA4HLMNATP53
SCHEMBL15762476 0.95 NR5A1 (0.61) NR5A1SLC2A1LTA4HLMNATP53

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 8 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
WO-2016201283-A1 ANTIFUNGAL AGENTS CIDARA THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
US-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2016-07-28 US disclosed
US-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2016-07-28 US disclosed
WO-2015035102-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2015-03-12 WO 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
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 2288/4885NR5A1 3602/4885CYP3A4 2847/4885
US-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS FPR1, FPR3, FPR2 RARB 2983/4885NR5A1 2683/4885CYP3A4 2774/4885
US-20090221470-A1 USE OF AN ECHINOCANDIN ANTIFUNGAL AGENT IN COMBINATION WITH A GLYCOPEPTIDE ANTIBACTERIAL AGENT DPM1, ERG28, ENGASE RARB 4821/4885NR5A1 4197/4885CYP3A4 1968/4885

“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.