SCHEMBL14200030

SCHEMBL14200030

COc1ccc(OCC(F)(F)F)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
MEN1 O00255 3/20 0.43
CYP2C19 P33261 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CYP17A1 P05093 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL27313543 0.81 ALDH1A1 (0.41) CYP2C9CYP1A2MEN1CYP2C19KMT2A
SCHEMBL22479880 0.81 ADRA1A (0.41) CYP2C9CYP1A2MEN1CYP2C19KMT2A
SCHEMBL14228552 0.79 CYP1A2 (0.47) CYP2C9CYP1A2MEN1CYP2C19KMT2A
SCHEMBL16838754 0.79 CYP1A2 (0.47) CYP2C9CYP1A2MEN1CYP2C19KMT2A
SCHEMBL12205076 0.79 ADRA1A (0.54) P2RX3P2RX2CYP2D6CYP2C9CYP1A2
SCHEMBL29559447 0.78 MAPT (0.58) CYP2C9CYP1A2MEN1CYP2C19KMT2A
SCHEMBL22897778 0.78 MAPT (0.58) CYP2C9CYP1A2MEN1CYP2C19KMT2A
SCHEMBL28012956 0.78 MRGPRX4 (0.46) CYP2C9CYP1A2MEN1CYP2C19KMT2A
SCHEMBL487152 0.77 CYP2D6 (0.67) P2RX3P2RX2CYP2D6MEN1KMT2A
SCHEMBL26099525 0.76 ADRA2A (0.50) CYP2D6CYP2C9CYP1A2MEN1CYP2C19

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 P2RX3 2666/4885P2RX2 2292/4885CYP2D6 427/4885

“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.