SCHEMBL338806

SCHEMBL338806

[CH]1CCCc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2A6 P11509 1/20 0.33
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
G6PC1 P35575 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28415 0.86 MAOA (0.41) TSHRMAOAMAOBOXTRABCG2
SCHEMBL11512984 0.79 TSHR (0.41) TSHRMAOAMAOBCYP2A6OXTR
SCHEMBL11515283 0.74 TSHR (0.44) TSHRMAOAMAOBHPGDL3MBTL1
SCHEMBL4500547 0.72 MAOA (0.64) TSHRMAOAMAOBCYP2A6OXTR
SCHEMBL19859855 0.72
SCHEMBL22439186 0.70 MAOA (0.38) TSHRMAOAMAOBOXTRABCG2
SCHEMBL14591135 0.70 MAOA (0.38) TSHRMAOAMAOBOXTRABCG2
SCHEMBL18685784 0.69 TSHR (0.44) TSHRMAOAMAOBCYP2A6OXTR
SCHEMBL29356442 0.68 ITGB2 (0.52) TSHRMAOAMAOBOXTRABCG2
SCHEMBL5313090 0.68 ITGB2 (0.52) TSHRMAOAMAOBOXTRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US claimed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US claimed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP claimed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP claimed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US claimed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US claimed
EP-2134342-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-12-23 EP claimed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 WO claimed
WO-1996033180-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-24 WO claimed
EP-0481920-B1 Benzoheterocyclylalkylaminoalkane diphosphonic acids CIBA GEIGY AG (CH) 1995-07-19 EP claimed
US-5204334-A Inhibition of calcium resorption; osteoporosis; Paget's disease; bone disorders CIBA-GEIGY CORPORATION (US) 1993-04-20 US claimed
EP-0481920-A1 Benzoheterocyclylalkylaminoalkane diphosphonic acids CIBA-GEIGY AG (CH) 1992-04-22 EP claimed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US claimed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
EP-4398916-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES Orchard Therapeutics (Europe) Limited (GB) 2024-07-17 EP disclosed
US-11980621-B2 Gonadotropin-releasing hormone antagonist dosing regimens for the treatment of endometriosis KISSEI PHARMACEUTICAL CO., LTD. (JP) 2024-05-14 US disclosed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 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 (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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA TSHR 971/4885MAOA 3301/4885MAOB 3240/4885
US-11980621-B2 Gonadotropin-releasing hormone antagonist dosing regimens for the treatment of endometriosis GNRHR, FSHR, LHCGR TSHR 163/4885MAOA 3102/4885MAOB 3200/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 TSHR 4278/4885MAOA 3486/4885MAOB 1591/4885
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL TSHR 725/4885MAOA 935/4885MAOB 536/4885

“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.