SCHEMBL10103705

SCHEMBL10103705

Cn1c(-c2cc3ccccc3n2C)cc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
MAPT P10636 4/20 0.66
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 3/20 0.66
MEN1 O00255 2/20 0.66
HPGD P15428 1/20 0.66
RECQL P46063 1/20 0.66
ADRA2A P08913 1/20 0.56
DAO P14920 1/20 0.53
MCL1 Q07820 1/20 0.53
APP P05067 4/20 0.53
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
BRD4 O60885 1/20 0.50
BRPF1 P55201 1/20 0.50
KAT2B Q92831 1/20 0.50
BRD9 Q9H8M2 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL29581156 0.87 KMT2A (1.00) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL214075 0.87 KMT2A (1.00) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL8304311 0.85 KMT2A (0.81) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL11687991 0.83 KMT2A (0.92) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL28888813 0.82 KMT2A (0.59) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL11685259 0.82 KMT2A (0.70) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL9574636 0.82 KMT2A (0.59) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL30078373 0.82 MAPT (0.67) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL9241728 0.82 MAPT (0.67) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL3686929 0.82 KMT2A (0.76) KMT2AMAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319951-B1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND FOR THE PREPARATION OF PRODUCTS DERIVED FROM SAME, PARTICULARLY FROM AMBROX BASF SE (DE) 2021-09-08 EP disclosed
US-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox BASF SE (DE) 2019-06-11 US disclosed
WO-2017009205-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX BASF SE (DE) 2017-01-19 WO disclosed
US-9266808-B2 Method for the hydroformylation of olefins BASF SE (DE) 2016-02-23 US disclosed
US-9266808-B2 Method for the hydroformylation of olefins BASF SE (DE) 2016-02-23 US disclosed
US-8853425-B2 Process for the preparation of benzodithiophene compounds ENI S.P.A. (IT) 2014-10-07 US disclosed
US-8853425-B2 Process for the preparation of benzodithiophene compounds ENI S.P.A. (IT) 2014-10-07 US disclosed
EP-2769981-A1 Improved process for the preparation of benzodithiophene compounds ENI S.p.A. (IT) 2014-08-27 EP disclosed
US-20140235874-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A (IT) 2014-08-21 US disclosed
US-20140235874-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A (IT) 2014-08-21 US disclosed
US-8110709-B2 Stabilization of hydroformylation catalysts based on phosphoramide ligands BASF SE (DE) 2012-02-07 US disclosed
EP-1677911-B1 STABILIZATION OF HYDROFORMYLATION CATALYSTS BASED ON PHOSPHORAMIDE LIGANDS BASF SE (DE) 2010-06-16 EP disclosed
US-20100048959-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS BASF SE (DE) 2010-02-25 US disclosed
US-20100048959-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS BASF SE (DE) 2010-02-25 US disclosed
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2009-09-10 US disclosed
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2009-09-10 US disclosed
EP-1539666-B1 METHOD FOR PRODUCING DIALDEHYDES AND/OR ETHYLENICALLY UNSATURATED MONOALDEHYDES BY HYDROFORMYLATING ETHYLENICALLY UNSATURATED COMPOUNDS BASF SE (DE) 2009-01-07 EP disclosed
WO-2008065171-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS BASF SE (DE) 2008-06-05 WO disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 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 (3 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-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox ALOX12, ALOX15, ALOX5 KMT2A 2777/4885MAPT 4615/4885ALDH1A1 683/4885
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION PFKFB3, PHPT1, PFKFB4 KMT2A 2660/4885MAPT 3930/4885ALDH1A1 2413/4885
US-20100048959-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS DOHH, CYP4F3, DHPS KMT2A 3485/4885MAPT 4180/4885ALDH1A1 453/4885

“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.