SCHEMBL1749312

SCHEMBL1749312

c1ccc2c(c1)OC1(CCCC1)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MITF O75030 1/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL368479 0.97 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31426431 0.97 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11005301 0.97 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL23554801 0.95 SMN1; SMN2 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL29972822 0.89 SMN1; SMN2 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
Acetic Acid SCHEMBL11814909 0.84 NPC1 (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31217551 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31217608 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31217583 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31217616 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044486-A1 JAK2 INHIBITOR COMPOUNDS AJAX THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-11675267-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-13 US disclosed
US-11675267-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-13 US disclosed
US-20210311392-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-07 US disclosed
US-8268530-B2 Positive resist composition, method of forming resist pattern, polymeric compound, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2012-09-18 US disclosed
US-8268530-B2 Positive resist composition, method of forming resist pattern, polymeric compound, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2012-09-18 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20100273106-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, POLYMERIC COMPOUND, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273106-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, POLYMERIC COMPOUND, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-10-28 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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 (6 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 ALDH1A1 286/4885KDM4E 2966/4885MEN1 982/4885
US-20100273106-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, POLYMERIC COMPOUND, AND COMPOUND RDX, DAD1, DDX1 ALDH1A1 1632/4885KDM4E 3633/4885MEN1 1932/4885
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ALDH1A1 2322/4885KDM4E 3961/4885MEN1 1450/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 1173/4885KDM4E 4703/4885MEN1 4615/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ALDH1A1 374/4885KDM4E 2896/4885MEN1 1308/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 ALDH1A1 1060/4885KDM4E 4303/4885MEN1 2421/4885

“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.