SCHEMBL677562

SCHEMBL677562

CCCCCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
CYP19A1 P11511 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CXCR1 P25024 13/20 0.56
SMPD1 P17405 1/20 0.54
CYP2D6 P10635 2/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL2403463 0.91 CYP1A2 (0.69) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL19600983 0.86 CXCR1 (0.73) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL7339631 0.86 CYP1A2 (0.63) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL17951705 0.86 CYP1A2 (0.67) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL10929143 0.84 CXCR1 (0.66) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL17822356 0.84 CYP1A2 (0.60) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL18314374 0.83 CYP1A2 (0.70) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL16557179 0.83 CYP1A2 (0.59) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL8379934 0.83 CYP1A2 (0.59) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL6538529 0.83 CYP1A2 (0.59) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090221470-A1 USE OF AN ECHINOCANDIN ANTIFUNGAL AGENT IN COMBINATION WITH A GLYCOPEPTIDE ANTIBACTERIAL AGENT DPM1, ERG28, ENGASE CYP1A2 2774/4885CYP19A1 3931/4885CYP2C9 1932/4885

“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.