SCHEMBL3814904

SCHEMBL3814904

NC(=O)Cc1ccccc1OCC1CO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX4 Q99571 1/20 0.39
HPGD P15428 1/20 0.39
ADRA2C P18825 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7505036 0.85 L3MBTL1 (0.39) ALDH1A1GLAL3MBTL1HPGDMEN1
SCHEMBL10460022 0.84 ALDH1A1 (0.55) ALDH1A1GLATDP1MGLLTP53
SCHEMBL4371199 0.83 ALDH1A1 (0.54) ALDH1A1GLATDP1MGLLTSHR
SCHEMBL1140449 0.81 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL27698019 0.81 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL4276592 0.81 ALDH1A1 (0.67) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL29618932 0.81 ALDH1A1 (0.67) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL1745602 0.80 ALDH1A1 (0.66) ALDH1A1GLATDP1MGLLTP53
SCHEMBL11162254 0.80 ALDH1A1 (0.61) ALDH1A1GLATDP1CYP3A4SMN1; SMN2
SCHEMBL6221087 0.79 THRA (0.61) ALDH1A1GLATDP1MGLLTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS ZHANG HAN-CHENG 2010-09-23 US disclosed
US-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS ZHANG HAN-CHENG 2010-09-23 US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 US disclosed
US-20090306141-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7528156-B2 Compounds ASTRAZENECA AB (SE) 2009-05-05 US disclosed
EP-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
US-7345063-B2 Amides, preparation and therapeutic use as modulators of CCR-receptor activity ASTRAZENECA AB (SE) 2008-03-18 US disclosed
US-20030162772-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-28 US disclosed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2002076457-A1 NOVEL AMIDES, PREPARATION AND THERAPEUTIC USE AS MODULATORS OF CCR-RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2002-10-03 WO disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
EP-0050885-B1 PROCESS FOR PREPARING 1-AMINO-3-ARYLOXY-2-PROPANOLS AND 1-AMINO-2-ARYL-2-ETHANOLS BLASCHIM S.p.A. (IT) 1984-07-18 EP disclosed
EP-0050885-A2 Process for preparing 1-amino-3-aryloxy-2-propanols and 1-amino-2-aryl-2-ethanols BLASCHIM S.p.A. (IT) 1982-05-05 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 (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-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS PRKDC, MAP2K2, TTK ALDH1A1 3937/4885GLA 4423/4885TDP1 582/4885
US-20090306141-A1 Novel Compounds CHRM2, CHRM1, C1R ALDH1A1 1779/4885GLA 2979/4885TDP1 3305/4885
US-20030162772-A1 Novel compounds RPS4X, RPS4Y1, MRPS18A ALDH1A1 949/4885GLA 1596/4885TDP1 4297/4885

“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.