SCHEMBL258481

SCHEMBL258481

[CH2]c1ccc(O)c(OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
TOP2A P11388 1/20 0.49
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
GAA P10253 5/20 0.46
MAPT P10636 4/20 0.46
AR P10275 1/20 0.46
THRB P10828 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45

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
SCHEMBL309719 0.81 KDM4E (0.46) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL2319036 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TOP2AABL1
SCHEMBL4395020 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TOP2AABL1
SCHEMBL294390 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TOP2AABL1
SCHEMBL9353738 0.78 MAPT (0.61) ALDH1A1KMT2AMEN1TOP2AABL1
SCHEMBL8386278 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TOP2AABL1
SCHEMBL16962672 0.78 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL15173354 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TOP2AABL1
SCHEMBL139963 0.77 MAOB (0.61) ALDH1A1KMT2AMEN1MAPTAR
SCHEMBL356412 0.76 KDM4E (0.59) ALDH1A1KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494104-B1 WARMING SENSATION COMPOUNDS TAKASAGO PERFUMERY CO LTD (JP) 2023-11-15 EP claimed
JP-4722360-B2 2011-07-13 JP claimed
EP-1517880-B1 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING SYMRISE AG (DE) 2011-01-05 EP claimed
EP-1278520-B1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2006-03-01 EP claimed
JP-2003527336-A 2003-09-16 JP claimed
EP-1278520-A4 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2003-05-02 EP claimed
EP-1278520-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS Merck & Co., Inc. (US) 2003-01-29 EP claimed
WO-2001034149-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO claimed
EP-2780326-B1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2018-12-26 EP disclosed
WO-2012154904-A1 TROPOLONE COMPOUNDS FOR TREATING OR PREVENTING RETROVIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-15 WO disclosed
US-8063107-B2 Use of trans-pellitorin as flavor substance SYMRISE AG (DE) 2011-11-22 US disclosed
US-20100291005-A1 USE OF TRANS-PELLITORIN AS FLAVOR SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2010-11-18 US disclosed
US-7776923-B2 Use of trans-pellitorin as flavor substance SYMRISE GMBH & CO. KG (DE) 2010-08-17 US disclosed
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US disclosed
US-20040241312-A1 Use of 2E,4E-decadienoic acid isobutylamide for imparting a salivation inducing effect to a foodstuff, an oral hygiene preparation or a gourmet or snack preparation; preparation by amidating a dodecadienoate with isobutylamine SYMRISE AG (DE) 2004-12-02 US disclosed
EP-1278520-A4 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2003-05-02 EP disclosed
EP-1278520-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS Merck & Co., Inc. (US) 2003-01-29 EP disclosed
US-6291480-B1 CONTROL OF COCCIDIOSIS IN POULTRY. MERCK & CO., INC. 2001-09-18 US disclosed
WO-2001034149-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO disclosed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 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 (1 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-20100291005-A1 USE OF TRANS-PELLITORIN AS FLAVOR SUBSTANCE PTMA, TAS2R14, TAS2R16 ALDH1A1 617/4885KMT2A 4057/4885MEN1 1950/4885

“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.