SCHEMBL1628100

SCHEMBL1628100

CCc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
PLK1 P53350 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 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
SCHEMBL3971183 0.85 ALDH1A1 (0.57) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL6687329 0.85 ALDH1A1 (0.57) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL13543227 0.83 PLK1 (0.56) ALDH1A1PLK1TDP1NPC1RAB9A
SCHEMBL3128806 0.83 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL10031827 0.83 PGR (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL27627345 0.83 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL4457411 0.83 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL8242799 0.83 EPHX2 (0.50) ALDH1A1SMN1; SMN2HPGD
SCHEMBL10458493 0.81 CYP1A2 (0.48) ALDH1A1PLK1SMN1; SMN2HPGDRXRA
SCHEMBL13389977 0.81 THRA (0.59) ALDH1A1PLK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3665163-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT Symrise AG (DE) 2020-06-17 EP claimed
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN disclosed
WO-2023196616-A1 FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2023-10-12 WO disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
CN-113423700-A Amber flavor agent 弗门尼舍有限公司 2021-09-21 CN disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
EP-2188364-B2 FABRIC TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2020-12-30 EP disclosed
EP-3668850-A1 AMBER ODORANT Firmenich SA (CH) 2020-06-24 EP disclosed
EP-3665163-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT Symrise AG (DE) 2020-06-17 EP disclosed
EP-3166586-B1 ANHYDROUS OIL BASED ON DELIVERY PARTICLES CONTAINING A BENEFIT AGENT OREAL (FR) 2020-04-15 EP disclosed
US-20080057005-A1 HYDROGELS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2008-03-06 US disclosed
US-20070122738-A1 IMAGE FORMING MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 2007-05-31 US disclosed
US-20070122738-A1 IMAGE FORMING MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 2007-05-31 US disclosed
EP-1765139-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC The Procter and Gamble Company (US) 2007-03-28 EP disclosed
US-7160667-B2 Novolak phenolic resin, quaternary heterocyclic amine, and -onium or ammonium photo-thermal converting agents; positive planographic printing plate precursor; storage stability FUJI PHOTO FILM CO., LTD. (JP) 2007-01-09 US disclosed
US-7160667-B2 Novolak phenolic resin, quaternary heterocyclic amine, and -onium or ammonium photo-thermal converting agents; positive planographic printing plate precursor; storage stability FUJI PHOTO FILM CO., LTD. (JP) 2007-01-09 US disclosed
WO-2006010087-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC THE PROCTER & GAMBLE COMPANY (US) 2006-01-26 WO disclosed
WO-1999016735-A1 METHOD FOR MAKING ACETAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
EP-0639558-B1 Process for preparation of 1-acyl-2-substituted-hydrazines NIPPON KAYAKU KK (JP) 1996-10-23 EP disclosed
EP-0639558-A1 Process for preparation of 1-acyl-2-substituted-hydrazines Nippon Kayaku Kabushiki Kaisha (JP) 1995-02-22 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 (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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885PLK1 1011/4885SMN1; SMN2 639/4885
US-20080057005-A1 HYDROGELS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS GMPS, CGAS, PDE2A ALDH1A1 974/4885PLK1 3360/4885SMN1; SMN2 4533/4885

“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.