SCHEMBL2012519

SCHEMBL2012519

Nc1ccc(CN2CCCC2)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.75
BCHE P06276 3/20 0.54
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.50
DRD2 P14416 1/20 0.49
MAOA P21397 1/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MPO P05164 2/20 0.47
CACNA1B Q00975 1/20 0.46
BRD4 O60885 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL29938949 1.00 ACHE (0.75) ACHEBCHEALDH1A1TSHRGFER
Hydrochloric Acid SCHEMBL9583051 0.98 ACHE (0.76) ACHEBCHEALDH1A1TSHRGFER
SCHEMBL28837434 0.86 ACHE (1.00) ACHEALDH1A1TSHRGFERDRD2
SCHEMBL2013061 0.85 CYP2C9 (0.62) ACHEALDH1A1MAOAKDM4EMPO
SCHEMBL13495620 0.82 SMN1; SMN2 (0.67) ACHEALDH1A1DRD2MAOAKDM4E
SCHEMBL6347632 0.81 ACHE (0.64) ACHEBCHEALDH1A1TSHRGFER
SCHEMBL3158244 0.80 ACHE (0.62) ACHEALDH1A1TSHRGFERDRD2
Hydrochloric Acid SCHEMBL6339656 0.80 ACHE (0.65) ACHEALDH1A1TSHRGFERDRD2
SCHEMBL14423575 0.79 ACHE (0.54) ACHEBCHEALDH1A1TSHRGFER
SCHEMBL2010740 0.79 ACHE (0.65) ACHEALDH1A1TSHRGFERDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073173-A Oxidative hair dye mixture CLAIROL INCORPORATED (US) 1991-12-17 US claimed
EP-0398702-A2 Dye couplers Bristol-Myers Squibb Company (US) 1990-11-22 EP claimed
US-20220283032-A1 Hair Colorant Assessment, Selection And Formulation System Innovative Beauty LLC (US) 2022-09-08 US disclosed
US-11378457-B1 Hair colorant assessment, selection and formulation system Innovative Beauty LLC (US) 2022-07-05 US disclosed
US-11137291-B1 Hair colorant assessment, selection and formulation system Innovative Beauty LLC (US) 2021-10-05 US disclosed
US-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 US disclosed
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS Institut National de la Santé et de la Recherche Médicale (FR) 2012-10-24 EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-23 WO disclosed
US-5183941-A Aminophenol CLAIROL INCORPORATED (US) 1993-02-02 US disclosed
US-5073173-A Oxidative hair dye mixture CLAIROL INCORPORATED (US) 1991-12-17 US disclosed
EP-0398702-A2 Dye couplers Bristol-Myers Squibb Company (US) 1990-11-22 EP 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-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 ACHE 66/4885BCHE 31/4885ALDH1A1 1615/4885

“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.