SCHEMBL4422197

SCHEMBL4422197

CC(=O)Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAOA P21397 1/20 0.51
NQO2 P16083 2/20 0.51
KLK7 P49862 1/20 0.51
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
APOBEC3A P31941 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL29131182 0.86 HSD17B10 (0.57) NAPRTHSD17B10MAPTALDH1A1KMT2A
SCHEMBL24719486 0.83 SMN1; SMN2 (0.58) NAPRTHSD17B10MAPTALDH1A1KMT2A
SCHEMBL30124891 0.83 SMN1; SMN2 (0.58) NAPRTHSD17B10MAPTALDH1A1KMT2A
SCHEMBL29131166 0.81 HSD17B10 (0.52) NAPRTHSD17B10MAPTALDH1A1KMT2A
Hydrogen Sulfide SCHEMBL27704713 0.81 MAPT (0.63) NAPRTHSD17B10MAPTALDH1A1KMT2A
SCHEMBL16428778 0.81 MAPT (0.58) NAPRTHSD17B10MAPTALDH1A1KMT2A
SCHEMBL29131177 0.79 KMT2A (0.57) NAPRTHSD17B10MAPTALDH1A1KMT2A
SCHEMBL6566875 0.79 FGFR1 (0.50) HSD17B10MAPTALDH1A1KMT2ANPC1
SCHEMBL30996957 0.79 NPC1 (0.53) NAPRTHSD17B10MAPTALDH1A1KMT2A
SCHEMBL7932199 0.78 MEN1 (0.53) MAPTKMT2AMEN1HDAC1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589245-B2 Process for preparing linear alpha olefins SHELL OIL COMPANY (US) 2009-09-15 US disclosed
US-7589245-B2 Process for preparing linear alpha olefins SHELL OIL COMPANY (US) 2009-09-15 US disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
EP-1765748-B1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS SHELL INT RESEARCH (NL) 2008-09-24 EP disclosed
EP-1740598-B1 TRANSITION METAL COMPLEXES SHELL INT RESEARCH (NL) 2008-03-05 EP disclosed
EP-1765748-A1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS Shell Internationale Research Maatschappij B.V. (NL) 2007-03-28 EP disclosed
EP-1740598-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2007-01-10 EP disclosed
EP-1542797-B1 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INT RESEARCH (NL) 2006-05-31 EP disclosed
US-7053020-B2 Catalyst systems for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY (US) 2006-05-30 US disclosed
US-20060014989-A1 Process for preparring linear alpha olefins SHELL OIL COMPANY 2006-01-19 US disclosed
WO-2006005762-A1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-01-19 WO disclosed
US-20050215792-A1 Transition metal complexes SHELL OIL COMPANY 2005-09-29 US disclosed
WO-2005090371-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-09-29 WO disclosed
EP-1542797-A2 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-06-22 EP disclosed
US-20040116758-A1 Catalyst systems for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY 2004-06-17 US disclosed
WO-2004037415-A2 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-05-06 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 (2 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-20050215792-A1 Transition metal complexes NCLN, PRNP, PARN NAPRT 968/4885HSD17B10 3822/4885MAPT 2119/4885
US-20060014989-A1 Process for preparring linear alpha olefins ITGAL, CCNL2, TRA2B NAPRT 436/4885HSD17B10 2280/4885MAPT 3728/4885

“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.