SCHEMBL1532488

SCHEMBL1532488

CNc1ccccc1C(=O)OCC(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.72
▸ TSHR P16473 3/20 0.72
▸ KDM4E B2RXH2 8/20 0.62
▸ ATM Q13315 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ ADRA1D P25100 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ ADRA1B P35368 1/20 0.58
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL4858499 0.84 KDM4E (0.58) ALDH1A1TSHRKDM4EATMPOLB
SCHEMBL8144263 0.84 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EATMADRA1D
SCHEMBL42787 0.84 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EATMADRA1D
SCHEMBL29387332 0.84 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EATMADRA1D
SCHEMBL8116309 0.83 ALDH1A1 (0.66) ALDH1A1TSHRKDM4EATMADRA1D
SCHEMBL6318035 0.83 KDM4E (0.70) ALDH1A1TSHRKDM4EATMPOLB
SCHEMBL27494884 0.83 ALDH1A1 (0.96) ALDH1A1TSHRKDM4EATMADRA1D
Ammonia Solution, Strong SCHEMBL28046886 0.83 ALDH1A1 (0.96) ALDH1A1TSHRKDM4EATMADRA1D
SCHEMBL27345462 0.83 ALDH1A1 (0.96) ALDH1A1TSHRKDM4EATMADRA1D
SCHEMBL619175 0.81 TSHR (0.69) ALDH1A1TSHRKDM4EATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106537149-A Method for screening trp channels 宝洁公司 2017-03-22 — — CN claimed
EP-3126831-A1 METHOD FOR SCREENING TRP CHANNELS The Procter & Gamble Company (US) 2017-02-08 — — EP claimed
WO-2015153184-A1 METHOD FOR SCREENING TRP CHANNELS THE PROCTER & GAMBLE COMPANY (US) 2015-10-08 — — WO claimed
US-20150272907-A1 Methods And Compositions For Modifying Sensorial Perception THE PROCTER & GAMBLE COMPANY 2015-10-01 — — US claimed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 — — US claimed
US-6277889-B1 FORMULATION CONTAINING ANTHRANILATE COMPOUND OR D-PULEGONE AS NONTOXIC ANIMAL REPELLENT AND METALDEHYDE BOWEN IVOR (GB) 2001-08-21 — — US claimed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 — — EP claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 — — EP claimed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 — — WO claimed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 — — US disclosed
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 — — EP disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 — — EP disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 — — US disclosed
US-11701305-B2 Unit dose sachet comprising a perfume gel composition Spritz, Inc. (US) 2023-07-18 — — US disclosed
US-6251432-B1 Sustained release dosage form unit having latex coating and method of making the same ABBOTT LABORATORIES 2001-06-26 — — US disclosed
WO-2001001966-A2 SUSTAINED RELEASE DOSAGE FORM UNIT HAVING LATEX COATING AND METHOD OF MAKING THE SAME ABBOTT LABORATORIES (US) 2001-01-11 — — WO disclosed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 — — EP disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 — — EP disclosed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 — — EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 — — 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 (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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885TSHR 3246/4885KDM4E 3699/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885TSHR 3246/4885KDM4E 3699/4885

“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.

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