SCHEMBL269738

SCHEMBL269738

CCCC(=O)C(C)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR3 O14843 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 2/20 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
SCHEMBL15342883 0.87 CES2 (0.46) CES2CES1CA1ALDH1A1
SCHEMBL22115919 0.85 CES2 (0.46) CES2CES1CA1ALDH1A1
SCHEMBL434439 0.85 CES2 (0.46) CES2CES1CA1ALDH1A1
SCHEMBL22115920 0.85 CES2 (0.46) CES2CES1CA1ALDH1A1
SCHEMBL2529704 0.85 CHRM1 (0.37) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL15386609 0.85 CA1 (0.50) CES2CES1NFKB1FDPSCA1
SCHEMBL2529707 0.85 TSHR (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL3414312 0.83 CES2 (0.54) CES2CES1CA1
SCHEMBL29236948 0.83 CYP1A2 (0.38) CES2CES1HDAC1HDAC2CHRM1
SCHEMBL11584987 0.83 CYP1A2 (0.60) HDAC1HDAC2TDP1FFAR3HDAC3

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 91 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-2001081459-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-01 WO disclosed
EP-1106661-A2 Coating composition and hardened film obtained therefrom JSR Corporation (JP) 2001-06-13 EP disclosed
EP-0824127-A2 Water-type dispersion composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-02-18 EP 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
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 CES2 811/4885CES1 1041/4885HDAC1 3296/4885
US-20260132232-A1 OPHTHALMIC DEVICES MYO1G, CRY1, UACA CES2 3730/4885CES1 1624/4885HDAC1 1795/4885
US-20070155633-A1 Diaromatic amine derivatives as antioxidants C9, C5, C1S CES2 1378/4885CES1 1483/4885HDAC1 1071/4885
US-12552883-B2 Ophthalmic devices ILK, MYLK, SMAD2 CES2 4234/4885CES1 3213/4885HDAC1 835/4885

“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.