SCHEMBL107545

SCHEMBL107545

CCCC(=O)CC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL2050674 0.90 CES2 (0.43) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28240938 0.89 CES2 (0.35) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL20838322 0.86 CES1 (0.44) CES2CES1ALDH1A1CA1
SCHEMBL20838321 0.84 KMT2A (0.48) CES2CES1
SCHEMBL1509686 0.84 TDP1 (0.37) FFAR3TSHRALDH1A1CA1CA2
SCHEMBL8096693 0.83 ALDH1A1 (0.48) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28240976 0.83 TDP1 (0.41) ALDH1A1CA1CA2CA7CA14
SCHEMBL6796119 0.83 TSHR (0.44) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL8896681 0.83 TSHR (0.44) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL14406001 0.82 KMT2A (0.52) CES2CES1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10990013-B2 Method for forming semiconductor structure TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2021-04-27 US claimed
EP-2463374-A2 Isolated alcohol dehydrogenase enzymes and uses thereof Bio Architecture Lab, Inc. (US) 2012-06-13 EP claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-7704929-B2 Diaromatic amine derivatives as antioxidants CHEMTURA CORPORATION (US) 2010-04-27 US claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO 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
US-20020061946-A1 Liquid antiozonants and rubber compositions containing same ADDIVANT USA, LLC 2002-05-23 US 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-20020061946-A1 Liquid antiozonants and rubber compositions containing same ADDIVANT USA, LLC 2002-05-23 US 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 1041/4885HDAC3 3141/4885
US-20260132232-A1 OPHTHALMIC DEVICES MYO1G, CRY1, UACA CES2 3730/4885CES1 1624/4885HDAC3 1068/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA CES2 60/4885CES1 73/4885HDAC3 2042/4885
US-20070155633-A1 Diaromatic amine derivatives as antioxidants C9, C5, C1S CES2 1378/4885CES1 1483/4885HDAC3 1224/4885

“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.