SCHEMBL3640425

SCHEMBL3640425

O=c1[nH]c2ccc(OCC3CO3)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 2/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NOS1 P29475 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM1A O60341 1/20 0.44
KCNH2 Q12809 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL2026158 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL17260692 0.75 CA12 (0.56) ALDH1A1TSHRSMN1; SMN2NOS1KDM1A
SCHEMBL8584061 0.75 ALDH1A1 (0.54) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL16963882 0.75 NOS1 (0.59) ALDH1A1TSHRSMN1; SMN2LMNANOS1
SCHEMBL3642963 0.75 ALDH1A1 (0.50) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL3642960 0.75 ALDH1A1 (0.50) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL7323778 0.75 ALDH1A1 (0.50) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL3362778 0.74 CA12 (0.61) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL30498671 0.74 CA12 (0.61) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL27546735 0.74 ALDH1A1 (0.49) ALDH1A1TSHRTP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
US-9709890-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-18 US disclosed
US-9709890-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-18 US disclosed
US-20160085149-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-24 US disclosed
US-20160085149-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-24 US disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
EP-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 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 (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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2664/4885TSHR 1062/4885TP53 4001/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 ALDH1A1 2039/4885TSHR 407/4885TP53 4467/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2668/4885TSHR 1080/4885TP53 3922/4885

“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.