SCHEMBL269900

SCHEMBL269900

CCC(C)C(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.32
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPK1 P28482 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GLS O94925 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1709308 1.00 TSHR (0.33) TSHRHSD17B10CA2CA1CA7
SCHEMBL12074463 1.00 TSHR (0.33) TSHRHSD17B10CA2CA1CA7
SCHEMBL28942206 0.81 TSHR (0.36) TSHRCA2MAPK1ALDH1A1
SCHEMBL8458675 0.80
SCHEMBL8459588 0.80
SCHEMBL5021517 0.80 GABRR1 (0.40) CA1ALDH1A1
SCHEMBL27370431 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14519713 0.79 CHRM1 (0.39) TSHRHSD17B10CA2CA1CA7
SCHEMBL22441112 0.79 TSHR (0.31) TSHR
SCHEMBL5987016 0.79 CA1 (0.32) TSHRCA2CA1CA7CA14

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 84 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
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
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 disclosed
EP-1276804-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME Uniroyal Chemical Company, Inc. (US) 2003-01-22 EP disclosed
US-20020061946-A1 Liquid antiozonants and rubber compositions containing same ADDIVANT USA, LLC 2002-05-23 US disclosed
WO-2001081459-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-01 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
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 TSHR 4414/4885HSD17B10 643/4885CA2 401/4885
US-20260132232-A1 OPHTHALMIC DEVICES MYO1G, CRY1, UACA TSHR 2339/4885HSD17B10 4348/4885CA2 37/4885
US-20070155633-A1 Diaromatic amine derivatives as antioxidants C9, C5, C1S TSHR 3698/4885HSD17B10 186/4885CA2 4661/4885
US-12552883-B2 Ophthalmic devices ILK, MYLK, SMAD2 TSHR 3092/4885HSD17B10 4108/4885CA2 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.