SCHEMBL721744

SCHEMBL721744

C=CCB(CC=C)CC=C.[LiH]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL498964 0.96 TSHR (0.33) TSHRALDH1A1
SCHEMBL4257968 0.92 TSHR (0.31) TSHRALDH1A1
SCHEMBL6570628 0.92 TSHR (0.31) TSHRALDH1A1
SCHEMBL1268551 0.75
SCHEMBL3738689 0.74
SCHEMBL8966736 0.70 TSHR (0.38) TSHRALDH1A1
SCHEMBL1931674 0.70 TSHR (0.33) TSHRALDH1A1
SCHEMBL27140 0.67
SCHEMBL370393 0.64
SCHEMBL7695888 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3130580-A1 PREPARATION OF DEUTERATED VENLAFAXINES Auspex Pharmaceuticals, Inc. (US) 2017-02-15 EP claimed
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO claimed
EP-2125698-A1 DEUTERATED VENLAFAXINES AND 0-DESMETHYLVENLAFAXINES WITH SEROTONINERGIC AND /OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals, Inc. (US) 2009-12-02 EP claimed
WO-2008140859-A1 DEUTERATED VENLAFAXINES AND 0-DESMETYLVENLAFAXINES WITH SEROTONINERGIC AND / OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-20 WO claimed
US-20080234257-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2008-09-25 US claimed
US-6670515-B1 Hydrogenation or coupling catalysts; reduced agglomeration; increased life; stronger support attachment; efficiency CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-12-30 US claimed
EP-1135209-B1 MATERIAL CONSTITUTED BY METAL PARTICLES AND ULTRAFINE OXIDE PARTICLES CENTRE NAT RECH SCIENT (FR) 2003-01-08 EP claimed
US-6395900-B1 N-DEPROTECTION AND/OR O-DEMETHYLATION OF AN OPIOID COMPOUND OR OF A NONPEPTIDIC DELTA TERT-AMIDE AGONIST WITH A LITHIUM TRIALKYLBOROHYDRIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-05-28 US claimed
US-20020045755-A1 Novel methods of O-demethylation and N-deprotection COOP ANDREW (US) 2002-04-18 US claimed
EP-0912577-A2 NOVEL METHODS OF O-DEMETHYLATION AND N-DEPROTECTION THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 1999-05-06 EP claimed
WO-1997044317-A9 NOVEL METHODS OF O-DEMETHYLATION AND N-DEPROTECTION 1998-06-25 WO claimed
WO-1997044317-A2 NOVEL METHODS OF O-DEMETHYLATION AND N-DEPROTECTION THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-11-27 WO claimed
EP-0503923-B1 Synthesis of 1 alpha-hydroxy-secosterol compounds WISCONSIN ALUMNI RES FOUND (US) 1994-12-28 EP claimed
EP-0503923-A1 Synthesis of 1 alpha-hydroxy-secosterol compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1992-09-16 EP claimed
CN-111826160-B Cadmium-free quantum dot, method of manufacturing the same, composition, quantum dot polymer composite, and display device including the same 三星电子株式会社 2024-05-14 CN disclosed
US-11901178-B2 Quantum dots and production method thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-02-13 US disclosed
EP-4294814-A1 METAL COMPLEXES HAVING 4-H, 6-H OR 8-H DIHYDROAZULENYL LIGANDS AND USE THEREOF Umicore AG & Co. KG (DE) 2023-12-27 EP disclosed
US-4082810-A STEREOSELECTIVE HYDROGENATING AGENTS ALDRICH-BORANES, INC. (US) 1978-04-04 US disclosed
US-4051248-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, NEUROLEPTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-09-27 US disclosed
US-4000273-A METHOD FOR THE CONTROL OF FERTILITY RICHARDSON-MERRELL INC. (US) 1976-12-28 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 (2 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-20020045755-A1 Novel methods of O-demethylation and N-deprotection OPRD1, OPRM1, OPRK1 TSHR 1459/4885ALDH1A1 363/4885
US-20080234257-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 TSHR 1125/4885ALDH1A1 2622/4885

“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.