SCHEMBL3631010

SCHEMBL3631010

CCCCCC(=O)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.62
CES1 P23141 9/20 0.60
CES2 O00748 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP1A2 P05177 1/20 0.60
AKR1B1 P15121 1/20 0.52
PPARG P37231 4/20 0.50
PPARD Q03181 4/20 0.50
PPARA Q07869 4/20 0.50
TSHR P16473 3/20 0.50
GPR84 Q9NQS5 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
TLR2 O60603 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL8898693 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL16186191 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL9437438 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL8824699 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL3411867 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL23052919 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL16186192 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL13246772 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL22525240 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL16186190 0.97 FAAH (0.64) FAAHCES1CES2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117562237-A Intestine-fertilizing essence and preparation method and application thereof 重庆梅香园实业集团有限公司 2024-02-20 CN disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11820805-B2 Conjugate based systems for controlled insulin delivery MERCK SHARP & DOHME LLC (US) 2023-11-21 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2023-10-31 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
CN-114292698-A Method for deodorizing functional animal fat 安徽天祥粮油食品有限公司 2022-04-08 CN disclosed
CN-108753449-B Chinese herbal medicine type animal fat deodorization agent, preparation method and application thereof 安徽师范大学 2021-08-27 CN disclosed
US-20210251864-A1 ECO EMULSIFIER SYMRISE AG (DE) 2021-08-19 US disclosed
US-10793779-B2 Method for separating soluble organic matter in petroleum coke SHANDONG CHAMBROAD PETROCHEMICALS CO., LTD. (CN) 2020-10-06 US disclosed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US disclosed
WO-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed
US-20070292651-A1 thermoplastics; heat resistance, chemical resistance, colorfastness ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-20 US disclosed
EP-1847375-A1 LASER WELDED MATERIAL OF LASER BEAM PERMEABLE MEMBER CONTAINING ALKALINE EARTH METAL SALT OF ANTHRAQUINONE ACID DYE Orient Chemical Industries, Ltd. (JP) 2007-10-24 EP disclosed
US-20070218010-A1 Contrast Agents for Magnetic Resonance Imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-09-20 US disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
EP-0223327-B1 TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-16 EP disclosed
US-4999043-A Triazolylmethyl tert-butyl carbinol derivatives which have plant growth regulating properties IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0409418-A1 Heterocyclic tertiary alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed
EP-0223327-A1 Triazolylmethyl-tert.-butyl-carbinol derivatives, processes for their preparation and their use as plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 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 (8 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 FAAH 4253/4885CES1 493/4885CES2 1129/4885
US-20070218010-A1 Contrast Agents for Magnetic Resonance Imaging MAG, SLC40A1, FABP7 FAAH 1718/4885CES1 3220/4885CES2 1280/4885
US-11820805-B2 Conjugate based systems for controlled insulin delivery GPR119, INSR, IGF1R FAAH 371/4885CES1 98/4885CES2 115/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 FAAH 4058/4885CES1 3505/4885CES2 4872/4885
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof PTGIS, PTGIR, PDE3A FAAH 940/4885CES1 659/4885CES2 922/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 FAAH 4397/4885CES1 1485/4885CES2 3012/4885
US-20210251864-A1 ECO EMULSIFIER ECHS1, CS, ELOVL1 FAAH 526/4885CES1 45/4885CES2 252/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 FAAH 4253/4885CES1 493/4885CES2 1129/4885

“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.