SCHEMBL586034

SCHEMBL586034

CC(C(=O)O)c1ccc2c(c1)CC=C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
PTGS1 P23219 6/20 0.46
CHRM1 P11229 1/20 0.44
AKR1C3 P42330 10/20 0.43
AKR1C2 P52895 10/20 0.43
TSHR P16473 2/20 0.43
SLC22A6 Q4U2R8 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 1/20 0.43
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
ABCC4 O15439 1/20 0.41
MEN1 O00255 1/20 0.41
FABP2 P12104 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL26625547 0.87 PTGS2 (0.46) PTGS2PTGS1CHRM1AKR1C3AKR1C2
SCHEMBL11656500 0.74 PTGS1 (0.54) PTGS2PTGS1CHRM1AKR1C3AKR1C2
SCHEMBL11753544 0.74 PTGS2 (0.43) PTGS2PTGS1CHRM1AKR1C3AKR1C2
SCHEMBL4589714 0.72 ALDH1A1 (0.50) PTGS2TSHRMEN1KMT2A
Indene SCHEMBL31277877 0.71 CYP2D6 (0.45) PTGS2MEN1KMT2A
SCHEMBL29111695 0.71 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL27559442 0.71 PTGS2 (0.50) PTGS2PTGS1CHRM1AKR1C3AKR1C2
SCHEMBL11755236 0.71 PTGS1 (0.47) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL27356467 0.70 ALDH1A1 (0.48) PTGS2TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL27447092 0.70 ALDH1A1 (0.48) PTGS2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
EP-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP disclosed
US-12545851-B2 Fragrances with note of lily of the valley SYMRISE AG (DE) 2026-02-10 US disclosed
EP-4045490-B1 NEW AROMATIC MONOTHIOKETALS AS FRAGRANCES SYMRISE AG (DE) 2025-12-03 EP disclosed
EP-4624559-A2 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2025-10-01 EP disclosed
EP-3684898-B1 METHOD FOR PRODUCING AN ACTIVE SUBSTANCE WAFER SYMRISE AG (DE) 2025-04-30 EP disclosed
EP-4006130-B1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2025-04-09 EP disclosed
EP-3969163-B1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES SYMRISE AG (DE) 2024-12-11 EP disclosed
EP-3924102-B1 METHOD FOR PRODUCING MICROCAPSULES SYMRISE AG (DE) 2024-12-11 EP disclosed
EP-4472763-A1 METHOD FOR PRODUCING MICROCAPSULES Symrise AG (DE) 2024-12-11 EP disclosed
EP-1220850-A2 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE HAARMANN & REIMER GMBH (DE) 2002-07-10 EP disclosed
WO-2002051375-A1 SELECTION METHOD FOR ODOROUS SUBSTANCES HAARMANN & REIMER GMBH (DE) 2002-07-04 WO disclosed
EP-1215189-A1 Process for the preparation of isolongifolanol HAARMANN & REIMER GMBH (DE) 2002-06-19 EP disclosed
WO-2002024857-A1 MULTI-PHASE SOAP HAARMANN & REIMER GMBH (DE) 2002-03-28 WO disclosed
WO-2002019983-A2 CLEANSING/CONDITIONING AGENTS CONTAINING MATRIX PARTICLES WITH A PERFUME COMPONENT AND A WASHING-ACTIVE COMPONENT HAARMANN & REIMER GMBH (DE) 2002-03-14 WO disclosed
WO-2002012157-A1 NOVEL MACROCYCLIC KETONES HAARMANN & REIMER GMBH (DE) 2002-02-14 WO disclosed
EP-1111029-A2 Perfume compositions containing 4,8-dimethyl-3,7-nonadien-2-one HAARMANN & REIMER GMBH (DE) 2001-06-27 EP disclosed
WO-2001038440-A1 WAX FORMULATIONS CONTAINING ODORIFEROUS SUBSTANCES HAARMANN & REIMER GMBH (DE) 2001-05-31 WO disclosed
WO-2001023373-A2 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE HAARMANN & REIMER GMBH (DE) 2001-04-05 WO disclosed
EP-1067126-A2 Tetracyclic acetals HAARMANN & REIMER GMBH (DE) 2001-01-10 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 (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-12545851-B2 Fragrances with note of lily of the valley TRPA1, CDY1; CDY1B, TMEM109 PTGS2 4393/4885PTGS1 4012/4885CHRM1 1248/4885

“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.