SCHEMBL4983077

SCHEMBL4983077

COc1cc(OC)c(C=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ERN1 O75460 9/20 0.50
PRKDC P78527 2/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FGFR1 P11362 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL30211775 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL27447388 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL27594492 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL23725638 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29953846 0.81 NNMT (0.50) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL587068 0.81 NNMT (0.50) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL25369646 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL30590424 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL2095193 0.81 TUBB4A (0.39) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL19469960 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
EP-4153598-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-03-29 EP disclosed
CN-115836075-A Aza-and aza-thio-coumarin derivatives for use in optically active devices 爱尔兰眼力健公司 2023-03-21 CN disclosed
WO-2021233800-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 WO disclosed
WO-2021233800-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 WO disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 EP disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 EP disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 US disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 US disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 US disclosed
US-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2015-09-10 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
CN-1906169-A Therapeutic agents I ASTRAZENECA AB (SE) 2007-01-31 CN 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-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, CACNA1E, SCN1A ALDH1A1 829/4885KDM4E 1794/4885TSHR 1866/4885
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B ALDH1A1 91/4885KDM4E 1637/4885TSHR 662/4885
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C ALDH1A1 2565/4885KDM4E 2772/4885TSHR 3532/4885

“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.