SCHEMBL4827581

SCHEMBL4827581

CC(C)C=C1CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18198955 1.00 RAB9A (0.39) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL29299404 1.00 RAB9A (0.39) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL18198958 0.98 RAB9A (0.38) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL6902225 0.95 ALDH1A1 (0.41) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL1076577 0.95 ALDH1A1 (0.41) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL6387239 0.95 ALDH1A1 (0.41) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL10735746 0.78 MAPT (0.47) RAB9ANPC1MAPTSMN1; SMN2EGFR
SCHEMBL8650664 0.76 NPC1 (0.36) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL8650660 0.76 NPC1 (0.36) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL9512837 0.76 NPC1 (0.33) RAB9ANPC1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081310-A PROCESS FOR PREPARING OPTICALLY ACTIVE KETONES TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-01-14 US claimed
EP-0090976-B1 2,2-DIHALO-6-HALO-6(1-HALOISOBUTYL)CYCLOHEXANONE MITSUBISHI KASEI CORPORATION (JP) 1985-12-11 EP claimed
US-4499306-A HALOGENATION OF 2-ISOBUTYLIDENE CYCLOHEXANONE IN PRESENCE OF CATALST MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-02-12 US claimed
EP-0090976-A2 2,2-Dihalo-6-halo-6(1-haloisobutyl)cyclohexanone MITSUBISHI KASEI CORPORATION (JP) 1983-10-12 EP claimed
JP-59082377-A None JP disclosed
JP-58174339-A None JP disclosed
JP-59076078-A None JP disclosed
US-20240229089-A1 A process for enzymatic synthesis of amides from amines and carboxylic acids or esters XP CHEMISTRIES AB (SE) 2024-07-11 US disclosed
EP-4308714-A1 A PROCESS FOR ENZYMATIC SYNTHESIS OF AMIDES FROM AMINES AND CARBOXYLIC ACIDS OR ESTERS XP Chemistries AB (SE) 2024-01-24 EP disclosed
WO-2022229314-A1 A PROCESS FOR ENZYMATIC SYNTHESIS OF AMIDES FROM AMINES AND CARBOXYLIC ACIDS OR ESTERS XP CHEMISTRIES AB (SE) 2022-11-03 WO disclosed
US-20170246155-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY DEPLETING SENESCENT CELLS BIOVENTURES, LLC 2017-08-31 US disclosed
US-7344740-B2 Methods and apparatus to prevent, treat, and cure the symptoms of nausea caused by chemotherapy treatments of human cancers INHALATION, INC. (US) 2008-03-18 US disclosed
US-4647677-A Process for preparing 2,3-dihydro-7-aminobenzofurans MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-03-03 US disclosed
US-4594438-A Dehydrohalogenation heating of 2,2,6-tri-halo-6-(1-halisobutyl)cyclohexanone MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-10 US disclosed
EP-0090976-B1 2,2-DIHALO-6-HALO-6(1-HALOISOBUTYL)CYCLOHEXANONE MITSUBISHI KASEI CORPORATION (JP) 1985-12-11 EP disclosed
US-4499306-A HALOGENATION OF 2-ISOBUTYLIDENE CYCLOHEXANONE IN PRESENCE OF CATALST MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-02-12 US disclosed
JP-S5982377-A PREPARATION OF 2,2-DIMETHYL-2,3-DIHYDRO-7- HYDROXYBENZOFURAN MITSUBISHI CHEM IND LTD 1984-05-12 JP disclosed
JP-S5976078-A PREPARATION OF 2,2-DIMETHYL-2,3-DIHYDRO-7-HALOBENZOFURAN MITSUBISHI CHEM IND LTD 1984-04-28 JP disclosed
JP-S58174339-A 2,2-DIHALO-6-HALO-6-(1-HALOISOBUTYL)CYCLOHEXANONE MITSUBISHI CHEM IND LTD 1983-10-13 JP disclosed
EP-0090976-A2 2,2-Dihalo-6-halo-6(1-haloisobutyl)cyclohexanone MITSUBISHI KASEI CORPORATION (JP) 1983-10-12 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-20170246155-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY DEPLETING SENESCENT CELLS CD47, MCL1, LIMS1 RAB9A 1036/4885NPC1 1272/4885MAPT 3398/4885

“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.