SCHEMBL9999526

SCHEMBL9999526

c1cc(-c2cc[n+](Cc3ccc(C[n+]4ccc(-c5ccncc5)cc4)cc3)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 10/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
PABPC1 P11940 1/20 0.48
APOBEC3A P31941 1/20 0.48
EIF4H Q15056 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NOTUM Q6P988 1/20 0.41

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
Bromide SCHEMBL15361681 0.98 CHKA (0.55) CHKAKDM4EALDH1A1RAB9APABPC1
Bromide SCHEMBL15361505 0.96 CHKA (0.58) CHKAKDM4EALDH1A1RAB9APABPC1
SCHEMBL23373046 0.91 KDM4E (0.67) CHKAKDM4EALDH1A1RAB9APABPC1
SCHEMBL1108062 0.91 ALDH1A1 (0.62) CHKAKDM4EALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL7166354 0.90 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9APABPC1
SCHEMBL1108034 0.90 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9APABPC1
Hydrochloric Acid SCHEMBL28357009 0.88 ALDH1A1 (0.64) CHKAKDM4EALDH1A1RAB9APABPC1
Hydrochloric Acid SCHEMBL27637987 0.88 ALDH1A1 (0.64) CHKAKDM4EALDH1A1RAB9APABPC1
Bromide SCHEMBL10969375 0.88 ALDH1A1 (0.64) CHKAKDM4EALDH1A1RAB9ALMNA
SCHEMBL19646819 0.86 CHKA (0.49) CHKAKDM4EALDH1A1RAB9APABPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160223558-A1 ANALYTE DETECTION USING NEAR-INFRARED FLUOROPHORES PORTLAND STATE UNIVERSITY (US) 2016-08-04 US disclosed
US-8927727-B2 Thiol detection THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-06 US disclosed
WO-2013003812-A2 ANALYTE DETECTION USING NEAR-INFRARED FLUOROPHORES THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-01-03 WO disclosed
US-20120276649-A1 THIOL DETECTION THE OREGON BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY 2012-11-01 US disclosed
US-20120083582-A1 ELECTRICALLY CONDUCTIVE POLYROTAXANE NAT'L INSTITUTE FOR MATERIALS SCIENCE (JP) 2012-04-05 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 (2 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-20160223558-A1 ANALYTE DETECTION USING NEAR-INFRARED FLUOROPHORES BLVRB, CBR3, AKR7A2 CHKA 3565/4885KDM4E 2006/4885ALDH1A1 235/4885
US-20120276649-A1 THIOL DETECTION GLO1, AHCY, BHMT2 CHKA 2980/4885KDM4E 1931/4885ALDH1A1 164/4885

“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.