SCHEMBL105702

SCHEMBL105702

CC(=O)C(O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
CYP1A2 P05177 1/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTRB1 P17538 4/20 0.49
ALPL P05186 1/20 0.48
POLB P06746 1/20 0.48
ALPG P10696 1/20 0.48
MDM2 Q00987 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
LMNA P02545 1/20 0.47
SLC15A1 P46059 1/20 0.47
CPA1 P15085 2/20 0.47
CPA3 P15088 2/20 0.47
TRPA1 O75762 1/20 0.47

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
SCHEMBL8277429 1.00 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8915021 1.00 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17539605 0.85 FFAR1 (0.57)
Acetone SCHEMBL16013120 0.85 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9513107 0.84 TRPA1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14501335 0.83 MAOB (0.60) PTGS1
SCHEMBL7773534 0.83 ALPI (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8953468 0.82 CYP1A2 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL197252 0.82 CYP1A2 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL57558 0.82 CYP1A2 (0.64) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247791-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2023-09-27 EP claimed
WO-2023143741-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO claimed
WO-2023144326-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO claimed
WO-2022106452-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO claimed
WO-2022105986-A1 NOVEL COOLING AGENTS AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO claimed
EP-3413906-B1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES UNIV LOUISIANA STATE (US) 2021-10-27 EP claimed
CN-109475595-A Composition, method and purposes are combined in treatment of cancer 路易斯安那州立大学以及农业和机械学院监事会 2019-03-15 CN claimed
EP-3413906-A1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES The Board of Supervisors of Louisiana State University & Agricultural & Mechanical College (US) 2018-12-19 EP claimed
US-20170258929-A1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2017-09-14 US claimed
WO-2017139644-A1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2017-08-17 WO claimed
EP-2385098-A1 Method for manufacturing an aroma concentrate and aroma concentrate Symrise AG (DE) 2011-11-09 EP claimed
EP-2075321-B1 Method for manufacturing an aroma concentrate and aroma concentrate SYMRISE AG (DE) 2011-08-03 EP claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
EP-2075321-A1 Method for manufacturing an aroma concentrate and aroma concentrate Symrise GmbH & Co. KG (DE) 2009-07-01 EP claimed
EP-2075320-A1 Method for manufacturing an aroma concentrate and aroma concentrate Symrise GmbH & Co. KG (DE) 2009-07-01 EP claimed
US-20090155446-A1 PROCESS FOR THE PREPARATION OF A FLAVORING CONCENTRATE, AND A FLAVORING CONCENTRATE SYMRISE GMBH & CO. KG (DE) 2009-06-18 US claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed

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-20170258929-A1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES GNRHR, LHCGR, MKI67 ALPI 1967/4885PKM 2022/4885PTGS1 264/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA ALPI 868/4885PKM 691/4885PTGS1 1751/4885

“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.