SCHEMBL1069504

SCHEMBL1069504

C=C(C(=O)OC)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.63
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
PARP10 Q53GL7 1/20 0.59
EGFR P00533 4/20 0.58
SRD5A2 P31213 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
PLA2G4B P0C869 1/20 0.55
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.52

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
SCHEMBL9043616 0.85 MAOB (0.67) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL8354367 0.85 MAOB (0.66) MAOBNR4A2SRD5A2
SCHEMBL27875463 0.84 NR4A1 (0.70) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL5386288 0.84 NR4A1 (0.68) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL978502 0.81 RAB9A (0.71) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL15596323 0.81 MAOB (0.66) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL8208242 0.81 ALOX5 (0.59) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL10497637 0.81 MAOB (0.61) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL9199941 0.81 MAOB (0.67) MAOBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1080750 0.81 NR4A1 (0.56) MAOBNR4A1NR4A2NR4A3PARP10

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-4486444-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
CN-118871422-A 3-Alkynyl carboxamides as AEP modulators 豪夫迈·罗氏有限公司 2024-10-29 CN disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
US-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 US disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 US disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 EP disclosed
US-20150183722-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein CIPLA LIMITED (IN) 2015-07-02 US disclosed
US-9012689-B2 Process for the preparation of O-desmethyl venlafaxine and intermediate for use therein CIPLA LIMITED (IN) 2015-04-21 US disclosed
US-20120157544-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein CIPLA LIMITED (IN) 2012-06-21 US disclosed
EP-2454228-A2 PROCESS FOR THE PREPARATION OF O-DESMETHYL VENLAFAXINE AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2012-05-23 EP disclosed
WO-2011007136-A2 PROCESS FOR THE PREPARATION OF O-DESMETHYL VENLAFAXINE AND INTERMEDIATE FOR USE THEREIN CIPLA LIMITED (IN) 2011-01-20 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-20150183722-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein SLC6A2, SLC6A3, MAOA MAOB 22/4885NR4A1 2307/4885NR4A2 3110/4885
US-10647675-B2 Biaryl derivative and medicine containing same MAN2B1, CBR3, MANBA MAOB 256/4885NR4A1 87/4885NR4A2 123/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA MAOB 256/4885NR4A1 87/4885NR4A2 123/4885
US-20120157544-A1 Process for the Preparation of O-Desmethyl Venlafaxine and Intermediate for Use Therein SLC6A2, SLC6A3, MAOA MAOB 22/4885NR4A1 2307/4885NR4A2 3110/4885

“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.