SCHEMBL7336644

SCHEMBL7336644

Clc1ccc(OC[C@@H]2CO2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TP53 P04637 3/20 0.62
TSHR P16473 3/20 0.62
HIF1A Q16665 2/20 0.62
CYP3A4 P08684 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 3/20 0.45
DRD4 P21917 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 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
SCHEMBL20854567 1.00 ALDH1A1 (0.62) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2341345 1.00 ALDH1A1 (0.62) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL9803136 0.86 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7279015 0.86 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL9839070 0.86 ALDH1A1 (0.47) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL22362311 0.85 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21882038 0.85 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21819606 0.85 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL22362302 0.85 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21050147 0.85 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692018-A1 MODULATORS OF CELL ADHESION, METHODS AND COMPOSITIONS THEREFOR Blaschuk, Orest (US) 2020-08-12 EP disclosed
US-10647672-B2 Modulators of cell adhesion, methods and compositions therefor Zonula, Inc. (CA) 2020-05-12 US disclosed
US-10647672-B2 Modulators of cell adhesion, methods and compositions therefor Zonula, Inc. (CA) 2020-05-12 US disclosed
US-20200048200-A1 Modulators of cell adhesion, methods and compositions therefor BLASCHUK, OREST, DR. (CA) 2020-02-13 US disclosed
US-20200048200-A1 Modulators of cell adhesion, methods and compositions therefor BLASCHUK, OREST, DR. (CA) 2020-02-13 US disclosed
WO-2019070816-A1 MODULATORS OF CELL ADHESION, METHODS AND COMPOSITIONS THEREFOR Zonula Incorporated (CA) 2019-04-11 WO disclosed
US-20190100493-A1 Modulators of cell adhesion, methods and compositions therefor BLASCHUK, OREST, DR. (CA) 2019-04-04 US disclosed
US-20190100493-A1 Modulators of cell adhesion, methods and compositions therefor BLASCHUK, OREST, DR. (CA) 2019-04-04 US disclosed
US-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 US disclosed
EP-0412814-A2 Pyridazinones having cardiotonic and beta blocking activity GLAXO WELLCOME INC. (US) 1991-02-13 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-20190100493-A1 Modulators of cell adhesion, methods and compositions therefor CDH1, EPCAM, ICAM1 ALDH1A1 707/4885TP53 376/4885TSHR 4880/4885
US-10647672-B2 Modulators of cell adhesion, methods and compositions therefor CDH1, EPCAM, ICAM1 ALDH1A1 707/4885TP53 376/4885TSHR 4880/4885
US-20200048200-A1 Modulators of cell adhesion, methods and compositions therefor CDH1, EPCAM, ICAM1 ALDH1A1 707/4885TP53 376/4885TSHR 4880/4885

“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.