SCHEMBL441454

SCHEMBL441454

C=CCC(=CC1C(C)=CCCC1(C)C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL17923373 0.85 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL891912 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL160940 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL29406424 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL22245027 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL244550 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL3714514 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL2857545 0.74 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL2857543 0.74 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL9837141 0.73 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3387099-B1 FOOD CONTACT SURFACE SANITIZING LIQUID CLOROX CO (US) 2021-07-21 EP claimed
EP-1333800-B1 SKIN CONDITIONING COMPOSITIONS CONTAINING COMPOUNDS FOR MIMICKING THE EFFECT ON SKIN OF RETINOIC ACID UNILEVER PLC (GB) 2014-08-27 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-2320745-A1 SWEETENER, METHODS OF PREPARING SWEETENER AND APPLICATIONS THEREOF Cargill, Incorporated (US) 2011-05-18 EP claimed
US-20110059218-A1 SWEETENER, METHODS OF PREPARING SWEETENER AND APPLICATIONS THEREOF CARGILL INCORPORATED (US) 2011-03-10 US claimed
WO-2009137838-A1 SWEETENER, METHODS OF PREPARING SWEETENER AND APPLICATIONS THEREOF CARGILL, INCORPORATED (US) 2009-11-12 WO claimed
EP-1200058-B1 SKIN CARE COMPOSITION CONTAINING PETROSELINIC ACID UNILEVER PLC (GB) 2006-04-19 EP claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-1200059-B1 SKIN CARE COMPOSITION UNILEVER PLC (GB) 2003-10-01 EP claimed
US-6451937-B1 BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST SHELL OIL COMPANY 2002-09-17 US claimed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US claimed
US-20250312364-A1 METHODS FOR THE USE OF PSYCHEDELICS TRYP THERAPEUTICS INC. (CA) 2025-10-09 US disclosed
US-12403177-B2 Silk-based product formulations and methods of use COCOON BIOTECH INC. (US) 2025-09-02 US disclosed
EP-4023249-B1 NUCLEIC ACID VACCINES MODERNATX INC (US) 2024-10-09 EP disclosed
EP-3981437-B1 NUCLEIC ACID VACCINES MODERNATX INC (US) 2024-10-09 EP disclosed
WO-2002041849-A2 MILD COSMETIC COMPOSITION WITH STABILIZED RETINOIDS UNILEVER PLC (GB) 2002-05-30 WO disclosed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US disclosed
WO-2001064688-A1 SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H CYCLIC HYDROCARBON BONDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-09-07 WO disclosed
WO-2001064689-A1 SELECTIVE, CATALYTIC, AND THERMALLY INDUCED FUNCTIONALIZATION OF PRIMARY C-H BONDS IN HYDROCARBONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-09-07 WO disclosed
US-4458093-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-07-03 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-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds AHR, PAH, HRH3 ALDH1A1 1723/4885CYP3A4 125/4885ALOX15 1296/4885

“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.