SCHEMBL2145695

SCHEMBL2145695

C=Cc1cccc2nc(C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 4/20 0.44
KDM1A O60341 1/20 0.39
NCF1 P14598 1/20 0.38
CYP2C9 P11712 1/20 0.37
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CASP6 P55212 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
GPR3 P46089 1/20 0.34

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
SCHEMBL30081467 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2KDM1ANCF1CYP2C9
SCHEMBL25487541 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2KDM1ANCF1CYP2C9
SCHEMBL11810842 0.78 CYP1A2 (0.58) ALDH1A1CYP1A2NCF1POLBMEN1
SCHEMBL9318064 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9POLBMEN1
SCHEMBL25487562 0.75 PARP1 (0.46) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL8571925 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2KDM1ANCF1POLB
SCHEMBL11249229 0.74 ALDH1A1 (0.55) ALDH1A1CYP1A2KDM1ANCF1CYP2C9
SCHEMBL826491 0.74 CYP1A2 (0.57) ALDH1A1CYP1A2KDM1ANCF1CYP2C9
SCHEMBL12356717 0.74 NCF1 (0.47) ALDH1A1CYP1A2NCF1KDM4ESMN1; SMN2
SCHEMBL5838808 0.73 CYP1A2 (0.41) ALDH1A1CYP1A2POLBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101134761-B Stabilization of nitrogen-containing and oxygen-containing organosilanes using weakly basic ion-exchange resins AIR PROD & CHEM 2015-05-06 CN disclosed
WO-2011084994-A1 CARBON MOLECULAR SIEVE FOR HYDROGEN STORAGE AND ADSORPTION OF OTHER LIGHT GASES SIGMA-ALDRICH CO. (US) 2011-07-14 WO disclosed
EP-1894934-B1 Stabilization of Nitrogen-Containing and Oxygen-Containing Organosilanes Using Weakly Basic Ion-Exchange Resins AIR PROD & CHEM (US) 2010-06-16 EP disclosed
US-7442822-B2 Stabilization of nitrogen-containing and oxygen-containing organosilanes using weakly basic ion-exchange resins AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-10-28 US disclosed
US-20080058541-A1 Stabilization of nitrogen-containing and oxygen-containing organosilanes using weakly basic ion-exchange resins VERSUM MATERIALS US, LLC 2008-03-06 US disclosed
EP-1894934-A1 Stabilization of Nitrogen-Containing and Oxygen-Containing Organosilanes Using Weakly Basic Ion-Exchange Resins Air Products and Chemicals, Inc. (US) 2008-03-05 EP disclosed
CN-101134761-A Stabilization of nitrogen-containing and oxygen-containing organosilanes using weakly basic ion-exchange resins AIR PROD & CHEM (US) 2008-03-05 CN disclosed
US-5756063-A Process for manufacturing isocyanates and producing reagent grade hydrochloric acid therefrom BASF CORPORATION (US) 1998-05-26 US disclosed
EP-0618170-B1 Process for producing reagent grade hydrochloric acid from the manufacture of organic isocyanates BASF CORP (US) 1996-09-04 EP disclosed
US-5362399-A Contacting stream with anion exchange resin BASF CORPORATION (US) 1994-11-08 US disclosed
US-4382124-A PRECIPITATION, ION EXCHANGE RESINS ROHM AND HAAS COMPANY (US) 1983-05-03 US disclosed
US-4297220-A WHEREIN THE COPOLYMER IS A CROSSLINKED ADDITION POLYMER ROHM AND HAAS COMPANY (US) 1981-10-27 US disclosed
US-4256840-A Macroreticular cation exchange beads and preparation of same ROHM AND HAAS COMPANY (US) 1981-03-17 US disclosed
US-4224415-A Polymerization processes and products therefrom ROHM AND HAAS COMPANY (US) 1980-09-23 US disclosed
US-4221871-A ADSORBENTS ROHM AND HAAS COMPANY (US) 1980-09-09 US disclosed
US-4131563-A Process of preparing substantially solid waste containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage STEAG KERNENERGIE G.M.B.H. (DE) 1978-12-26 US disclosed
US-4113845-A ION EXCHANGE UNION CARBIDE CORPORATION (US) 1978-09-12 US disclosed
US-4009116-A Process of preparing substantially organic waste liquids containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 US disclosed
US-3968199-A FROM SILICON HYDROGEN TRICHLORIDE, ION EXCHANGE RESIN UNION CARBIDE CORPORATION (US) 1976-07-06 US disclosed
US-3960762-A Production of absorbents BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (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-20080058541-A1 Stabilization of nitrogen-containing and oxygen-containing organosilanes using weakly basic ion-exchange resins DOHH, HRH2, HRH1 ALDH1A1 3515/4885CYP1A2 3558/4885KDM1A 1488/4885

“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.