SCHEMBL736513

SCHEMBL736513

COc1cc(C=O)c(Cl)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ ERN1 O75460 8/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PRKDC P78527 2/20 0.44
▸ TRIM24 O15164 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL28293621 0.82 ERN1 (0.68) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL4945362 0.80 ALDH1A1 (0.60) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL15119999 0.80 ALDH1A1 (0.66) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL27908987 0.79 ERN1 (0.64) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL15883267 0.79 ALDH1A1 (0.53) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL29459646 0.78 ALDH1A1 (0.58) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL12311288 0.78 ERN1 (0.65) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL1002582 0.78 ALDH1A1 (0.58) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL1619656 0.77 ALDH1A1 (0.56) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL13076862 0.77 ALDH1A1 (0.56) ALDH1A1ERN1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240308968-A1 FUNGICIDAL SUBSTITUTED HETEROCYCLES FMC CORP (US) 2024-09-19 — — US disclosed
EP-4387957-A1 FUNGICIDAL SUBSTITUTED HETEROCYCLES FMC Corporation (US) 2024-06-26 — — EP disclosed
CN-117836274-A Fungicidal substituted heterocyclic compounds FMC公司 2024-04-05 — — CN disclosed
WO-2023023242-A1 FUNGICIDAL SUBSTITUTED HETEROCYCLES FMC CORPORATION (US) 2023-02-23 — — WO disclosed
CN-111278823-B Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2023-01-24 — — CN disclosed
US-20200253978-A1 HETEROCYCLICS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR ADVNET PHARMA CO. LTD. (CN) 2020-08-13 — — US disclosed
CN-111278823-A Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2020-06-12 — — CN disclosed
CN-108503593-A 2- amino-metadiazine compounds and its application 暨南大学 2018-09-07 — — CN disclosed
CN-102971316-A Fused bicyclic kinase inhibitors OSI PHARMACEUTICALS LLC 2013-03-13 — — CN disclosed
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 — — US disclosed
CN-101010323-B Bicyclononene derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD 2010-06-16 — — CN disclosed
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 — — EP disclosed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 — — US disclosed
CN-101010323-A Bicyclononene derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2007-08-01 — — CN disclosed
EP-1786814-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-05-23 — — EP disclosed
WO-2006021402-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2006-03-02 — — WO disclosed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 — — 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 (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-20200253978-A1 HETEROCYCLICS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR FGFR1, FGFR4, FGFR2 ALDH1A1 699/4885ERN1 3952/4885KDM4E 703/4885
US-20090306123-A1 Bicyclononene derivaties REN, ACE, CYP51A1 ALDH1A1 583/4885ERN1 2124/4885KDM4E 2801/4885
US-20240308968-A1 FUNGICIDAL SUBSTITUTED HETEROCYCLES CYP1B1, CYP1A1, NOX1 ALDH1A1 610/4885ERN1 2362/4885KDM4E 957/4885

“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.

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