SCHEMBL4820532

SCHEMBL4820532

CCC[C](C)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GMNN O75496 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CMKLR1 Q99788 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 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
SCHEMBL4818412 0.86 NR4A1 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6028023 0.85 HPGD (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9800434 0.82 CYP2C19 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4948336 0.82 GPR52 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5011022 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8615771 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5079813 0.79 GPR52 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
Butane SCHEMBL8740779 0.78 NR4A1 (0.57) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1716864 0.78 ALDH1A1 (0.70) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1611743 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358396-B2 Preparation of optically active amines BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 US disclosed
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes Source Global, PBC 2007-07-05 US disclosed
US-7193092-B2 Chiral diphosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2007-03-20 US disclosed
US-7078226-B1 Method for producing optically active amines BASF AKTIENGESELLSCHAFT (DE) 2006-07-18 US disclosed
US-20060122429-A1 Preparation of optically active amines DITRICH KLAUS 2006-06-08 US disclosed
EP-1400527-B1 Chiral diphosphorus compounds and transition metal complexes thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-03-22 EP disclosed
EP-1398319-B1 Chiral monophosphorus compounds and transition metal complexes thereof LANXESS DEUTSCHLAND GMBH (DE) 2005-11-09 EP disclosed
US-20050080047-A1 Chiral diphosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2005-04-14 US disclosed
EP-1232279-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AG (DE) 2005-03-02 EP disclosed
US-20040127430-A1 Chiral monophosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-07-01 US disclosed
EP-1400527-A1 Chiral diphosphorus compounds and transition metal complexes thereof Bayer Chemicals AG (DE) 2004-03-24 EP disclosed
EP-1398319-A1 Chiral monophosphorus compounds and transition metal complexes thereof Bayer Chemicals AG (DE) 2004-03-17 EP disclosed
EP-1232279-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2002-08-21 EP disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
US-6242583-B1 COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
WO-2001038292-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2001-05-31 WO disclosed
US-5990320-A Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
EP-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 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 (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-20060122429-A1 Preparation of optically active amines MAOA, MAOB, NAAA MEN1 1765/4885KMT2A 1971/4885ALDH1A1 283/4885
US-20040127430-A1 Chiral monophosphorus compounds and their transition metal complexes MDM4, MPHOSPH6, AP3M1 MEN1 146/4885KMT2A 1967/4885ALDH1A1 4060/4885
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes CDIPT, DCPS, PIN1 MEN1 1235/4885KMT2A 2288/4885ALDH1A1 3235/4885
US-20050080047-A1 Chiral diphosphorus compounds and their transition metal complexes CDIPT, DCPS, PIN1 MEN1 1235/4885KMT2A 2288/4885ALDH1A1 3235/4885

“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.