SCHEMBL991355

SCHEMBL991355

CCOC(=O)[C@@H](O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.51
MMP8 P22894 1/20 0.49
PIN1 Q13526 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL614649 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL820513 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL29610080 0.95 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL9712036 0.94 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMMP8PIN1L3MBTL1
SCHEMBL7411749 0.91 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMMP8MEN1KMT2A
SCHEMBL7421239 0.91 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMMP8MEN1KMT2A
SCHEMBL1859511 0.90 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMMP8PIN1TDP1
SCHEMBL27496209 0.87 SMN1; SMN2 (0.46) SMN1; SMN2MAPTL3MBTL1TDP1PPARG
SCHEMBL8888971 0.87 LMNA (0.62) L3MBTL1PPARGPPARALMNAALDH1A1
SCHEMBL9395007 0.87 LMNA (0.49) SMN1; SMN2TDP1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437401-B1 Oxidoreductase IEP GMBH (DE) 2010-12-15 EP claimed
US-20050191735-A1 Oxidoreductase IEP GMBH (DE) 2005-09-01 US claimed
WO-2011009849-A2 METHOD FOR PREPARING OPTICALLY ACTIVE HYDROXY ACID ESTERS BASF SE (DE) 2011-01-27 WO disclosed
US-7575909-B2 Oxidoreductase from pichia capsulata IEP GMBH (DE) 2009-08-18 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
EP-1330464-B1 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEM CO (US) 2005-11-16 EP disclosed
US-20050191735-A1 Oxidoreductase IEP GMBH (DE) 2005-09-01 US disclosed
EP-1330464-A2 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEMICAL COMPANY (US) 2003-07-30 EP disclosed
US-6590115-B2 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds EASTMAN CHEMICAL COMPANY 2003-07-08 US disclosed
US-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2002-05-30 US disclosed
WO-2002026750-A2 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEMICAL COMPANY (US) 2002-04-04 WO disclosed
EP-0421472-B1 Process for racemization of optically active 4-phenylbutanoic acid esters KURARAY CO (JP) 1994-05-04 EP disclosed
US-5066826-A Treating With A Base KURARAY COMPANY, LTD. (JP) 1991-11-19 US disclosed
EP-0421472-A1 Process for racemization of optically active 4-phenylbutanoic acid esters KURARAY CO., LTD. (JP) 1991-04-10 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 (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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 SMN1; SMN2 4422/4885MAPT 577/4885MMP8 3740/4885
US-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds NOTUM, WEE1, WEE2 SMN1; SMN2 3650/4885MAPT 4067/4885MMP8 4602/4885

“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.