SCHEMBL1049563

SCHEMBL1049563

COc1cc(Cl)c(C=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
KDM4E B2RXH2 2/20 0.65
TSHR P16473 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
PRKDC P78527 2/20 0.59
ERN1 O75460 6/20 0.52
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL15054285 0.89 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL8188243 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1787396 0.88 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL8907495 0.88 ALDH1A1 (0.64) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL19628273 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4065455 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL10394357 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL23214848 0.84 PRKDC (0.61) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1054210 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL16295565 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP claimed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
CN-111393277-B 4-butyl polyhydroxy benzophenone compound derivative and application thereof 山西医科大学 2023-01-03 CN disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 CN disclosed
CN-111393277-A 4-butyl polyhydroxy benzophenone compound derivative and application thereof 山西医科大学 2020-07-10 CN disclosed
US-10287226-B2 Mild catalytic reduction of C—O bonds and C═O bonds using a recyclable catalyst system ORGANOFUEL SWEDEN AB (SE) 2019-05-14 US disclosed
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM ORGANOFUEL SWEDEN AB (SE) 2017-11-23 US disclosed
WO-2016066835-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CÓRDOVA ARMANDO (SE) 2016-05-06 WO disclosed
CN-101076333-A Pyrazolo-heteroaryl compounds useful to treat TNF-alpha and IL-1 mediated diseases NOVARTIS AG (CH) 2007-11-21 CN disclosed
EP-1833477-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES Novartis AG (CH) 2007-09-19 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006063820-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2006-06-22 WO disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
CN-1035828-A Benzo benzodioxole derivatives and preparation method thereof TANABE SEIYAKU CO (JP) 1989-09-27 CN disclosed
US-3976695-A Halogen substituted α-(aminoalkyl)-3,4-dihydroxybenzyl alcohols SMITHKLINE CORPORATION (US) 1976-08-24 US 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 (5 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-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CBR1, ADH1C, AOC2 ALDH1A1 198/4885KDM4E 664/4885TSHR 4190/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885KDM4E 2087/4885TSHR 4262/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ALDH1A1 2794/4885KDM4E 2087/4885TSHR 4262/4885
US-10287226-B2 Mild catalytic reduction of C—O bonds and C═O bonds using a recyclable catalyst system CBR1, ADH1C, CBR3 ALDH1A1 230/4885KDM4E 765/4885TSHR 4092/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ALDH1A1 14/4885KDM4E 1277/4885TSHR 3288/4885

“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.