SCHEMBL3018992

SCHEMBL3018992

O=Cc1ccc(/C=C(\F)Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2A6 P11509 4/20 0.42
HSD17B10 Q99714 1/20 0.42
FBP1 P09467 1/20 0.38
TYR P14679 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2A13 Q16696 1/20 0.38
ALDH1A3 P47895 2/20 0.35
ALDH3A1 P30838 1/20 0.35
DRD1 P21728 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL3018995 1.00 EGFR (0.48) EGFRALDH5A1ABATALDH1A1KDM4E
SCHEMBL2581233 0.80 ALDH5A1 (0.52) EGFRALDH5A1ABATALDH1A1KDM4E
SCHEMBL9517758 0.80 ALDH5A1 (0.52) EGFRALDH5A1ABATALDH1A1KDM4E
SCHEMBL3726260 0.75 FBP1 (0.48) ALDH1A1CYP2A6FBP1RAB9A
SCHEMBL21873481 0.75 FBP1 (0.48) ALDH1A1CYP2A6FBP1RAB9A
SCHEMBL18185662 0.75 FBP1 (0.48) ALDH1A1CYP2A6FBP1RAB9A
SCHEMBL23904120 0.73 TP53 (0.53) ALDH1A1HSD17B10FBP1
SCHEMBL23904121 0.73 TP53 (0.53) ALDH1A1HSD17B10FBP1
SCHEMBL31171 0.72 CYP2A6 (0.69) EGFRALDH5A1ABATALDH1A1KDM4E
SCHEMBL4956384 0.72 CYP2A6 (0.69) EGFRALDH5A1ABATALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 EGFR 2437/4885ALDH5A1 427/4885ABAT 647/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 EGFR 2437/4885ALDH5A1 427/4885ABAT 647/4885

“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.