SCHEMBL1701967

SCHEMBL1701967

Cc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
ALDH1A1 P00352 5/20 0.56
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 3/20 0.50
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
ATM Q13315 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
NLRP1 Q9C000 1/20 0.50
GAA P10253 1/20 0.50
NTSR1 P30989 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 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
SCHEMBL18437044 0.93 ALDH1A1 (0.70) CA2ALDH1A1CES2CES1LMNA
SCHEMBL13246736 0.93 CA2 (0.52) CA2ALDH1A1CES2CES1LMNA
SCHEMBL10031827 0.89 PGR (0.47) CA2ALDH1A1CES2CES1LMNA
SCHEMBL11528364 0.88 MMP13 (0.58) CA2ALDH1A1CES2CES1LMNA
SCHEMBL9181194 0.83 RAB9A (0.76) ALDH1A1LMNASMN1; SMN2KMT2APKM
SCHEMBL14588237 0.83 CA2 (0.55) CA2ALDH1A1CES2CES1LMNA
SCHEMBL727083 0.83 CA2 (0.55) CA2ALDH1A1CES2CES1LMNA
SCHEMBL9250001 0.83 CA2 (0.55) CA2ALDH1A1CES2CES1LMNA
SCHEMBL195231 0.83 CA2 (0.61) CA2ALDH1A1CES2CES1LMNA
SCHEMBL10483771 0.82 ELANE (0.54) ALDH1A1LMNAPKMHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362651-B1 PROCESS FOR THE PRODUCTION OF 2,6-DIMETHYLNAPHTHALENE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-05-12 EP claimed
US-5023390-A Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-11 US claimed
EP-0362651-A2 Process for the production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-11 EP claimed
US-4057646-A Substituted or unsubstituted p-alkanoyl toluenes as male anti-fertility agents SANDOZ, INC. (US) 1977-11-08 US claimed
US-3968247-A Substituted or unsubstituted p-alkanoyl toluenes as anti-diabetic agents SANDOZ, INC. (US) 1976-07-06 US claimed
US-3962342-A Bromination process SANDOZ, INC. (US) 1976-06-08 US claimed
US-3941888-A Substituted or unsubstituted p-alkanoyl toluenes as hypolipidemics SANDOZ, INC. (US) 1976-03-02 US claimed
JP-2096540-A None JP disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230357302-A1 TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2023-11-09 US disclosed
US-11796914-B2 Photosensitive resin structure for printing plate, and method for producing same ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-10-24 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed
US-3996286-A HYPOLIPIDEMIC AGENTS, HYPOCHOLESTEROLEMICS SANDOZ, INC. (US) 1976-12-07 US disclosed
US-3978132-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1976-08-31 US disclosed
US-3968247-A Substituted or unsubstituted p-alkanoyl toluenes as anti-diabetic agents SANDOZ, INC. (US) 1976-07-06 US disclosed
US-3962342-A Bromination process SANDOZ, INC. (US) 1976-06-08 US disclosed
US-3962342-A Bromination process SANDOZ, INC. (US) 1976-06-08 US disclosed
US-3962320-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1976-06-08 US disclosed
US-3941888-A Substituted or unsubstituted p-alkanoyl toluenes as hypolipidemics SANDOZ, INC. (US) 1976-03-02 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 (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 CA2 4633/4885ALDH1A1 3246/4885CES2 3614/4885
US-20230357302-A1 TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF LSS, GALE, CYP4A11 CA2 4407/4885ALDH1A1 4420/4885CES2 592/4885

“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.