SCHEMBL9609528

SCHEMBL9609528

CC(=CC=O)CCCC(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 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
SCHEMBL10246556 0.85 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9609529 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL11586409 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1
SCHEMBL11586407 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1
Ammonia Solution, Strong SCHEMBL11587537 0.76 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1
SCHEMBL16294982 0.75 SQLE (0.39) ALDH1A1CYP1A1CYP1B1
SCHEMBL21986504 0.75 SQLE (0.39) ALDH1A1CYP1A1CYP1B1
SCHEMBL16296254 0.75 SQLE (0.39) ALDH1A1CYP1A1CYP1B1
SCHEMBL9575096 0.74 ALDH1A1 (0.39) ALDH1A1CYP1A1CYP1B1
SCHEMBL15108605 0.74 ALDH1A1 (0.39) ALDH1A1CYP1A1CYP1B1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107787337-B Aldimines and ketimines as initiators in curing agent systems and corresponding resin compositions, in particular for fixing technology 费希尔厂有限责任两合公司 2020-10-16 CN claimed
EP-3345978-B1 HYBRID ADHESIVE AND ITS USE FISCHERWERKE GMBH & CO KG (DE) 2020-06-03 EP claimed
EP-3345978-A1 HYBRID ADHESIVE AND ITS USE fischerwerke GmbH & Co. KG (DE) 2018-07-11 EP claimed
CN-111902476-A Specific compounds as accelerators for imine/metal salt initiated radical polymerization of unsaturated compounds and their use as accelerators 费希尔厂有限责任两合公司 2020-11-06 CN disclosed
CN-107787337-B Aldimines and ketimines as initiators in curing agent systems and corresponding resin compositions, in particular for fixing technology 费希尔厂有限责任两合公司 2020-10-16 CN disclosed
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 US disclosed
US-20170174650-A1 NOVEL ORGANOLEPTIC COMPOUNDS AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2017-06-22 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-3994936-A Catalytic rearrangement HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US disclosed
US-3981896-A CONVERSION OF ACETYLENIC ALCOHOLS TO ALDEHYDES AND KETONES HOFFMANN-LA ROCHE INC. (US) 1976-09-21 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 (4 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 ALDH1A1 223/4885CYP1A1 1064/4885CYP1B1 1589/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ALDH1A1 122/4885CYP1A1 1512/4885CYP1B1 1701/4885
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND TPSD1, QDPR, TALDO1 ALDH1A1 14/4885CYP1A1 248/4885CYP1B1 364/4885
US-20170174650-A1 NOVEL ORGANOLEPTIC COMPOUNDS AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS TAS2R5, TAS2R40, TAS2R10 ALDH1A1 612/4885CYP1A1 779/4885CYP1B1 770/4885

“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.