SCHEMBL2839306

SCHEMBL2839306

O=Cc1cc2c3c(c1)OCCN3CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
KMT2A Q03164 9/20 0.45
MAPT P10636 7/20 0.45
MEN1 O00255 7/20 0.45
HPGD P15428 6/20 0.45
GAA P10253 5/20 0.45
LMNA P02545 4/20 0.45
BLM P54132 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 2/20 0.44
GLA P06280 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
RAD52 P43351 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 5/20 0.35
USP2 O75604 4/20 0.35
RECQL P46063 3/20 0.35

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
SCHEMBL2837705 0.91 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL254935 0.82 KMT2A (0.50) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL4869823 0.79 KMT2A (0.48) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL4698664 0.70 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL2846045 0.70 HTR2C (0.49) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL13989159 0.68 KMT2A (0.53) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL10396166 0.68 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL15882807 0.67 KMT2A (0.45) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL15882809 0.67 KMT2A (0.45) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL15267534 0.65 KMT2A (0.50) ALDH1A1KMT2AMAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046190-A2 TRICYCLIC ALDEHYDES AND C,H ACIDIC COMPOUNDS HENKEL AG & CO. KGAA (DE) 2010-04-29 WO claimed
WO-2010046190-A2 TRICYCLIC ALDEHYDES AND C,H ACIDIC COMPOUNDS HENKEL AG & CO. KGAA (DE) 2010-04-29 WO disclosed
WO-2010046190-A2 TRICYCLIC ALDEHYDES AND C,H ACIDIC COMPOUNDS HENKEL AG & CO. KGAA (DE) 2010-04-29 WO disclosed
US-6844089-B2 Organic red electro-luminescent device and dopant SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2005-01-18 US disclosed
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors ZHUANG LINGHANG (US) 2005-01-13 US disclosed
US-20030232215-A1 Organic Red Electro-Luminescent Device and Dopant SYNTEC GESELLSCHAFT FUER CHEMIE UND TECHNOLOGIE DER INFORMATIONSAUFZEICHNUNG MBH (DE) 2003-12-18 US disclosed
EP-1235467-A2 Electroluminescent device, new luminescent compounds and doping agents Syntec Gesellschaft für Chemie und Technologie der Informationsaufzeichnung mbH (DE) 2002-08-28 EP 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-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors POLI, CYP51A1, DUT ALDH1A1 1974/4885KMT2A 103/4885MAPT 2711/4885

“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.