SCHEMBL12074864

SCHEMBL12074864

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ BCHE P06276 4/20 0.39
▸ ACHE P22303 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ATP2A1 O14983 1/20 0.39

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 0.88 ALDH1A1 (0.40) MAPTALDH1A1KMT2ABCHEACHE
SCHEMBL12074701 0.87 TDO2 (0.37) MAPTALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL14904029 0.84 PDE4A (0.36) MAPTSMN1; SMN2TP53HSP90AA1TDO2
SCHEMBL12074099 0.81 TDO2 (0.36) MAPTACHESMN1; SMN2TP53NPSR1
SCHEMBL12074704 0.80 PDGFRB (0.46) TDO2
SCHEMBL12074707 0.77 TDO2 (0.43) MAPTALDH1A1KMT2ABCHEACHE
SCHEMBL14904033 0.76 FYN (0.36) MAPTALDH1A1KMT2ABCHEACHE
SCHEMBL14904035 0.75 PDCD1 (0.37) MAPTSMN1; SMN2TP53HSP90AA1TDO2
SCHEMBL12074908 0.73 ACACA (0.41) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL12074861 0.73 SLC10A2 (0.44) MAPTKMT2ASMN1; SMN2MEN1TP53

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 MAPT 4799/4885ALDH1A1 3775/4885KMT2A 2742/4885

“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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