SCHEMBL14904004

SCHEMBL14904004

COc1cc(-c2cnc3cc(CO)c(CO)cc3c2I)cc(-c2cccc(-c3ccccc3)c2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.43
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MAP3K11 Q16584 2/20 0.37
KIT P10721 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
PTPN1 P18031 1/20 0.36
SYK P43405 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL14904012 0.89 FYN (0.43) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL12074066 0.88 FYN (0.47) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14904010 0.85 FYN (0.40) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14903983 0.79 PDGFRB (0.54) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL12074069 0.77 CTDSP1 (0.48) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14904013 0.76 PTPN1 (0.39) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14904054 0.76 PDGFRB (0.55) FYNTGFBR1
SCHEMBL14903995 0.74 PDGFRB (0.52) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14903978 0.73 ADORA1 (0.50) FYNPDCD1CD274KIT
SCHEMBL12074064 0.73 FYN (0.44) FYNBMPR1ATGFBR1ACVRL1ACVR1

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 FYN 4551/4885BMPR1A 1487/4885TGFBR1 2944/4885

“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.