SCHEMBL269050

SCHEMBL269050

CC(C)CC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA2 P00918 2/20 0.43
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
FFAR1 O14842 1/20 0.32
PTPN1 P18031 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL13543295 0.80 MAPK1 (0.35) ALDH1A1TDP1CA2CYP2C19KMT2A
SCHEMBL14035478 0.80 MAPK1 (0.35) ALDH1A1TDP1CA2CYP2C19KMT2A
SCHEMBL1262761 0.79 CYP2C19 (0.43) ALDH1A1TDP1CA2CYP2C19PTPN1
SCHEMBL5451205 0.78 CYP2C19 (0.46) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
SCHEMBL20830102 0.78 GABRP (0.37) ALDH1A1TDP1KMT2A
SCHEMBL5196201 0.78 ALDH1A1 (0.32) ALDH1A1TDP1KMT2A
SCHEMBL13554068 0.78 ALDH1A1 (0.43) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
SCHEMBL5013963 0.78 ALDH1A1 (0.32) ALDH1A1TDP1KMT2A
SCHEMBL5196735 0.78 ALDH1A1 (0.32) ALDH1A1TDP1KMT2A
SCHEMBL5194291 0.78 HSD11B1 (0.32) ALDH1A1TDP1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704929-B2 Diaromatic amine derivatives as antioxidants CHEMTURA CORPORATION (US) 2010-04-27 US claimed
US-20070155633-A1 Diaromatic amine derivatives as antioxidants LANXESS SOLUTIONS US INC. 2007-07-05 US claimed
EP-1276804-B1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEM CO INC (US) 2006-06-14 EP claimed
US-20050282878-A1 Process for the purification of fluconazole GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-12-22 US claimed
US-6706216-B1 REACTION PRODUCT OF CATALYTIC REDUCTIVE ALKYLATION OF P-PHENYLENEDIAMINE OR DERIVATIVE WITH ACETONE AND SECOND CARBONYL COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2004-03-16 US claimed
US-6706217-B2 OBTAINED FROM THE REACTION OF A PARAPHENYLENEDIAMINE COMPOUND WITH ACETONE AND AT LEAST ONE OF KETONES AND ALDEHYDES, USING A REDUCTIVE ALKYLATION CATALYST UNIROYAL CHEMICAL COMPANY, INC. 2004-03-16 US claimed
CN-1425037-A Liquid antiozonants and rubber compositions containing them UNIROYAL CHEM CO INC (US) 2003-06-18 CN claimed
EP-1276804-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME Uniroyal Chemical Company, Inc. (US) 2003-01-22 EP claimed
US-20020061946-A1 Liquid antiozonants and rubber compositions containing same ADDIVANT USA, LLC 2002-05-23 US claimed
WO-2001081459-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-01 WO claimed
US-20260132232-A1 OPHTHALMIC DEVICES BAUSCH LOMB IRELAND LTD (IE) 2026-05-14 US disclosed
EP-3788084-B1 OPHTHALMIC DEVICES CONTAINING UV BLOCKER AND METHODS FOR THEIR PREPARATION BAUSCH & LOMB (US) 2026-04-29 EP disclosed
US-12552883-B2 Ophthalmic devices BAUSCH + LOMB IRELAND LIMITED (IE) 2026-02-17 US disclosed
EP-4677398-A1 CONTACT LENS CONTAINING DEPROTECTED ULTRAVIOLET BLOCKERS Bausch + Lomb Ireland Limited (IE) 2026-01-14 EP disclosed
EP-4646240-A1 BIOMEDICAL DEVICES HAVING A SURFACE COATING Bausch + Lomb Ireland Limited (IE) 2025-11-12 EP disclosed
WO-1998050336-A1 SUPERACID CATALYZED FORMYLATION-REARRANGEMENT OF SATURATED HYDROCARBONS OLAH GEORGE A (US) 1998-11-12 WO disclosed
US-4900868-A Process for producing N,N'-disubstituted paraphenylene diamine mixtures by sequential reductive alkylation MONSANTO COMPANY (US) 1990-02-13 US disclosed
US-4859285-A SOLVENT EXTRACTIONUSING KETONE Berg, Lloyd (US) 1989-08-22 US disclosed
US-4666626-A OXO-HEXYL ACETATE, CYCLOHEXANONE C.L.M., INC. (US) 1987-05-19 US disclosed
EP-0084527-A2 Process for producing paraphenylenediamine mixtures MONSANTO COMPANY (US) 1983-07-27 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 (4 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-20050282878-A1 Process for the purification of fluconazole ERG28, CYP51A1, MAN2B1 ALDH1A1 790/4885TDP1 947/4885CA2 401/4885
US-20260132232-A1 OPHTHALMIC DEVICES MYO1G, CRY1, UACA ALDH1A1 2066/4885TDP1 4617/4885CA2 37/4885
US-20070155633-A1 Diaromatic amine derivatives as antioxidants C9, C5, C1S ALDH1A1 462/4885TDP1 2279/4885CA2 4661/4885
US-12552883-B2 Ophthalmic devices ILK, MYLK, SMAD2 ALDH1A1 2118/4885TDP1 4782/4885CA2 2053/4885

“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.