SCHEMBL40429

SCHEMBL40429

COC(=O)c1cccc(C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.65
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
TSHR P16473 1/20 0.59
PARP1 P09874 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KCNK3 O14649 1/20 0.55
KCNH2 Q12809 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL28289702 1.00 GPR17 (0.65) GPR17HDAC8HDAC6TSHRPARP1
SCHEMBL29534771 1.00 GPR17 (0.65) GPR17HDAC8HDAC6TSHRPARP1
SCHEMBL27429999 0.91 GPR17 (0.57) GPR17HDAC8HDAC6TSHRPARP1
Pivalate SCHEMBL27265475 0.89 GPR17 (0.56) GPR17HDAC8HDAC6TSHRPARP1
SCHEMBL7470758 0.89 GPR17 (0.56) GPR17HDAC8HDAC6TSHRPARP1
SCHEMBL7943889 0.89 GPR17 (0.56) GPR17TSHRLOXL2TDP1SMN1; SMN2
SCHEMBL7719381 0.89 CA12 (0.59) GPR17TSHRLOXL2CYP4F2CYP4A11
SCHEMBL30285148 0.89 CA12 (0.59) GPR17TSHRLOXL2CYP4F2CYP4A11
Methyl Benzoate SCHEMBL19206967 0.88 TSHR (0.73) GPR17HDAC8HDAC6TSHRPARP1
Toluene SCHEMBL28306821 0.88 TSHR (0.67) GPR17TSHRLOXL2TDP1SMN1; SMN2

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 1684 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036615-A Indazole hydrazide compound and preparation method and application thereof 南京农业大学 2026-05-15 CN claimed
CN-118879796-A Method for synthesizing methyl salicylate compound by taking biological enzyme as catalyst 济南大学 2024-11-01 CN claimed
WO-2024182515-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2024-09-06 WO claimed
US-20240292836-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2024-09-05 US claimed
CN-118240886-A Method for synthesizing ethyl salicylate compound by biological enzyme catalysis 济南大学 2024-06-25 CN claimed
WO-2023212597-A1 CARBON DIOXIDE CAPTURE AND UTILIZATION AS A CLEAN FEEDSTOCK MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 2023-11-02 WO claimed
CN-116554063-A Preparation method of flusulfamuron intermediate 江苏省农用激素工程技术研究中心有限公司 2023-08-08 CN claimed
CN-115725290-A Slickwater system for carbonate-containing oil and gas reservoir transformation and preparation and application thereof 中国石油天然气股份有限公司 2023-03-03 CN claimed
CN-115121269-A Nickel-based catalyst for hydrogenation of aromatic ring and preparation method and application thereof 南京工业大学 2022-09-30 CN claimed
CN-114805120-A Synthesis process of m-cyanomethyl benzoate 江苏瑞达环保科技有限公司 2022-07-29 CN claimed
CN-1709860-A Benzal indone and benzyl indone derivative(s), and its preparing method and use UNIV ZHEJIANG (CN) 2005-12-21 CN claimed
CN-1176123-C Initiation system for preparing polyisobutene with reactive activity 北京化工大学 2004-11-17 CN claimed
CN-1417234-A Cation Polymerization process of preparing isoolefine polymer or copolymer CHINA PETROCHEMICAL CORP (CN) 2003-05-14 CN claimed
CN-1323841-A Initiation system for preparing polyisobutene with reactive activity UNIV BEIJING CHEMICAL ENG (CN) 2001-11-28 CN claimed
CN-1066309-C Ahas inhibiting herbicide resistant wheat and method for selection thereof AMERICAN CYANAMID CO (US) 2001-05-30 CN claimed
CN-1180739-A Health-care wine and preparation method thereof XU BAOSHI (CN) 1998-05-06 CN claimed
CN-1180695-A Improved oxidation process in the preparation of dimethyl terephthalate by the witton-hercules process HUELS CHEMISCHE WERKE AG (DE) 1998-05-06 CN claimed
CN-1171721-A Herbicidal composition IDEMITSU KOSAN CO (JP) 1998-01-28 CN claimed
EP-0170280-A1 Novel intermediates and process for the preparation of 3-acylamino-1-hydroxy-2-azetidinones E.R. Squibb & Sons, Inc. (US) 1986-02-05 EP claimed
US-4182847-A Monomers for poly(methylenebenzoate) polymers from toluic acid compounds STANDARD OIL COMPANY (INDIANA) (US) 1980-01-08 US 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 (1 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-20240292836-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF L3MBTL4, L3MBTL3, L3MBTL1 GPR17 4101/4885HDAC8 3465/4885HDAC6 1754/4885

“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.