SCHEMBL1787396

SCHEMBL1787396

CCOc1cc(C=O)c(Cl)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.56
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ERN1 O75460 4/20 0.51
PRKDC P78527 2/20 0.47
ENPP1 P22413 1/20 0.44
PDE4D Q08499 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TACR2 P21452 1/20 0.40

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
SCHEMBL1049563 0.88 ALDH1A1 (0.66) ALDH1A1LMNAKDM4ETSHRTDP1
SCHEMBL2761533 0.84 ALDH1A1 (0.74) ALDH1A1LMNAKDM4ETSHRTDP1
SCHEMBL6818074 0.83 ALDH1A1 (0.70) ALDH1A1LMNAKDM4ETSHRTDP1
SCHEMBL3369827 0.83 ALDH1A1 (0.62) ALDH1A1LMNAKDM4ETSHRTDP1
SCHEMBL11557526 0.82 ENPP1 (0.54) ALDH1A1KDM4ETSHRENPP1PDE4D
SCHEMBL29951681 0.81 ALDH1A1 (0.77) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29954494 0.81 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ETSHRTDP1
SCHEMBL18901650 0.80 ALDH1A1 (0.67) ALDH1A1LMNAKDM4ETSHRTDP1
SCHEMBL2559619 0.80 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ETSHRTDP1
SCHEMBL2558934 0.80 ALDH1A1 (0.80) ALDH1A1LMNAKDM4ETSHRERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885LMNA 4721/4885KDM4E 1188/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R ALDH1A1 650/4885LMNA 4327/4885KDM4E 3215/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ALDH1A1 918/4885LMNA 4113/4885KDM4E 3524/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885LMNA 4721/4885KDM4E 1188/4885

“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.