SCHEMBL423503

SCHEMBL423503

COC(=O)c1ccc(C)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C19 P33261 1/20 0.56
KLK7 P49862 1/20 0.55
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 3/20 0.53
HPGD P15428 4/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SETD7 Q8WTS6 1/20 0.49

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
SCHEMBL30911235 1.00 HTT (0.60) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL69791 0.86 HTT (0.69) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL28035437 0.84 KLK7 (0.52) HTTKLK7ALDH1A1POLBHPGD
SCHEMBL21981938 0.84 HTT (0.67) HTTMEN1CYP1A2KMT2ACYP2C19
Ethylene SCHEMBL22615238 0.82 HTT (0.64) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL9349735 0.81 KLK7 (0.57) HTTKLK7ALDH1A1POLBHPGD
SCHEMBL19442049 0.81 HTT (0.58) HTTMEN1CYP1A2KMT2ACYP2C19
Propane SCHEMBL28412029 0.80 HTT (0.68) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL17274259 0.79 TDP1 (0.52) KLK7ALDH1A1POLBHPGDTSHR
SCHEMBL669793 0.79 HDAC4 (0.62) ALDH1A1POLBKDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110206-A1 PERFUME, PERFUME COMPOSITION, METHOD FOR PRODUCING PERFUME, AND COMPOUND 三菱瓦斯化学株式会社 2025-05-30 WO claimed
CN-118084836-A Method for co-producing 1, 3-propanediol and dimethyl furandicarboxylate by using carbonate and furan compounds as raw materials 华东师范大学 2024-05-28 CN claimed
US-11987892-B2 Metal cleaning compositions comprising furoate esters and uses therefor NORTH AMERICAN PRODUCTS GROUP, LLC (US) 2024-05-21 US claimed
CN-112638888-B Oxidation process for the production of 5- (alkoxycarbonyl) furan-2-carboxylic Acid (ACFC) 伊士曼化工公司 2024-04-02 CN claimed
EP-3740662-B1 METAL CLEANING COMPOSITIONS COMPRISING FUROATE ESTERS AND USES THEREFOR QMAXX PRODUCTS GROUP INC (US) 2023-08-16 EP claimed
CN-111153876-B Method for producing furandicarboxylic acid and derivative thereof from furfural 华东师范大学 2023-07-28 CN claimed
CN-111655372-B Catalysts containing furans and their use in hydrotreating and/or hydrocracking processes IFP 新能源公司 2023-07-25 CN claimed
CN-111868364-B Metal cleaning composition comprising furoate ester and use thereof 北美产品集团有限责任公司 2022-10-14 CN claimed
US-11440895-B2 Oxidation process to produce 5-(alkoxycarbonyl)furan-2-carboxylic acids (ACFC) EASTMAN CHEMICAL COMPANY (US) 2022-09-13 US claimed
CN-114315728-A Imidazole ionic liquid and application thereof in alcoholysis polymerization of 2, 5-furandicarboxylic acid ester 中国科学院大连化学物理研究所 2022-04-12 CN claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US claimed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP claimed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
EP-0649880-B1 Metallized azo-ether dyes for optical recording layers EASTMAN KODAK CO (US) 2000-01-12 EP claimed
EP-0649880-A1 Metallized azo-ether dyes for optical recording layers EASTMAN KODAK COMPANY (US) 1995-04-26 EP claimed

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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 HTT 3572/4885MEN1 4401/4885CYP1A2 592/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 HTT 3422/4885MEN1 3845/4885CYP1A2 616/4885
US-11440895-B2 Oxidation process to produce 5-(alkoxycarbonyl)furan-2-carboxylic acids (ACFC) MCCC2, ACSL5, ACACB HTT 4744/4885MEN1 1429/4885CYP1A2 394/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 HTT 241/4885MEN1 2591/4885CYP1A2 846/4885

“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.