SCHEMBL14904033

SCHEMBL14904033

COc1cc(-c2cc3cc4c(cc3[n+](C(C)C)c2)OCO4)cc(-c2ccc(-c3ccccc3)cc2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ BCHE P06276 7/20 0.35
▸ ACHE P22303 7/20 0.35
▸ PREP P48147 3/20 0.35
▸ MAPT P10636 7/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TP53 P04637 2/20 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
SCHEMBL12074253 0.87 ALDH1A1 (0.40) FYNTOP2ABCHEACHEMAPT
SCHEMBL12075030 0.77 PDGFRB (0.54) FYN
SCHEMBL12074864 0.76 MAPT (0.39) TOP2ABCHEACHEMAPTALDH1A1
SCHEMBL12074908 0.73 ACACA (0.41) FYNMAPTALDH1A1KMT2ATSHR
SCHEMBL12074073 0.71 FYN (0.41) FYNACHEMAPTALDH1A1SMN1; SMN2
SCHEMBL14904027 0.71 PDCD1 (0.39) FYNALDH1A1KMT2AMEN1HPGD
SCHEMBL12074910 0.69 ACACA (0.37) FYNMAPTALDH1A1KMT2ATSHR
SCHEMBL14903984 0.68 FYN (0.38) FYNKMT2AMEN1USP2HSD17B10
SCHEMBL14904028 0.68 PDCD1 (0.36) FYNMAPTALDH1A1KMT2AMEN1
SCHEMBL12074906 0.68 FYN (0.33) FYNMAPTALDH1A1CYP3A4KMT2A

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 4 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-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
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 4551/4885TOP2A 1456/4885BCHE 3910/4885

“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.

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