SCHEMBL12074099

SCHEMBL12074099

COc1cc(-c2cc3ccccc3[n+](C)c2)cc(-c2ccc(C(C)(C)C)cc2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ FYN P06241 1/20 0.32

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
SCHEMBL12074073 0.89 FYN (0.41) MAPTSMN1; SMN2CA12CA1CA2
SCHEMBL12074701 0.88 TDO2 (0.37) TDO2MAPTTP53SMN1; SMN2CA12
SCHEMBL12074694 0.86 FYN (0.40) MAPTCA12CA1CA2CA9
SCHEMBL14904029 0.85 PDE4A (0.36) TDO2MAPTTP53SMN1; SMN2HSP90AA1
SCHEMBL14904053 0.84 TDO2 (0.33) TDO2MAPTTP53SMN1; SMN2PDGFRB
SCHEMBL12074859 0.82 FYN (0.44) CA12CA1CA2CA9PDGFRB
SCHEMBL12074707 0.82 TDO2 (0.43) TDO2MAPTTP53SMN1; SMN2CA12
SCHEMBL12074864 0.81 MAPT (0.39) TDO2MAPTTP53SMN1; SMN2ACHE
SCHEMBL12074857 0.80 FYN (0.39) CA12CA1CA2CA9FYN
SCHEMBL12074908 0.78 ACACA (0.41) MAPTCA12CA1CA2CA9

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-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
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — 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 (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 TDO2 4238/4885MAPT 4799/4885TP53 4500/4885

“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.

Send feedback