SCHEMBL14740604

SCHEMBL14740604

c1ccc(Oc2cccc3nc4ccccc4cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.53
PTBP1 P26599 1/20 0.53
RAB9A P51151 1/20 0.53
RCE1 Q9Y256 1/20 0.53
MAPT P10636 3/20 0.52
ACHE P22303 1/20 0.48
NQO2 P16083 2/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HTT P42858 2/20 0.41
KDM1A O60341 1/20 0.41
MIF P14174 1/20 0.40

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
SCHEMBL5192732 0.91 KMT2A (0.58) GLAKMT2AALDH1A1KDM4EHPGD
SCHEMBL9693024 0.83 LTA4H (0.46) GLAKMT2AALDH1A1KDM4EHPGD
SCHEMBL445495 0.81 CTNNB1 (0.44) GLAKMT2AALDH1A1KDM4EHPGD
SCHEMBL240664 0.80 NQO2 (0.57) GLAKMT2AALDH1A1KDM4EHPGD
SCHEMBL1441005 0.79 CTNNB1 (0.43) GLAKMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL15271481 0.79 NQO2 (0.56) GLAKMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL32690198 0.77 NQO2 (0.54) GLAKMT2AALDH1A1KDM4EHPGD
SCHEMBL441860 0.77 KCNA3 (0.58) GLAKMT2AALDH1A1KDM4EHPGD
SCHEMBL29860318 0.77 KCNA3 (0.58) GLAKMT2AALDH1A1KDM4EHPGD
SCHEMBL222907 0.76 ALDH1A1 (0.50) GLAKMT2AALDH1A1KDM4EHPGD

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
CN-104961801-B A kind of synthesis and application of antibacterial polypeptide conjugate and its dimer with Mutiple Targets 兰州大学 2018-01-19 CN disclosed
US-9090640-B2 Targeted delivery and prodrug designs for platinum-acridine anti-cancer compounds and methods thereof WAKE FOREST UNIVERSITY 2015-07-28 US disclosed
US-20140193334-A1 Targeted Delivery and Prodrug Designs for Platinum-Acridine Anti-Cancer Compounds and Methods Thereof WAKE FOREST UNIVERSITY 2014-07-10 US disclosed
WO-2013033430-A1 TARGETED DELIVERY AND PRODRUG DESIGNS FOR PLATINUM-ACRIDINE ANTI-CANCER COMPOUNDS AND METHODS THEREOF WAKE FOREST SCHOOL OF MEDICINE (US) 2013-03-07 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-20140193334-A1 Targeted Delivery and Prodrug Designs for Platinum-Acridine Anti-Cancer Compounds and Methods Thereof ERBB3, EGFR, ESR1 GLA 4641/4885KMT2A 4389/4885ALDH1A1 2873/4885

“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.