SCHEMBL84424

SCHEMBL84424

COC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 1/20 0.58
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL2627834 0.94 CA1 (0.56) CA1CA2TDP1CA12CA7
SCHEMBL21165786 0.91 CA1 (0.58) CA1CA2TDP1CA12CA7
SCHEMBL28266239 0.91 CDC25A (0.54) CA1CA2TDP1CA12CA7
SCHEMBL4609954 0.86 RAB9A (0.67) MAPTRAB9ANPC1TSHRL3MBTL1
SCHEMBL4609178 0.86 RAB9A (0.67) MAPTRAB9ANPC1TSHRL3MBTL1
Methyl Benzoate SCHEMBL22288136 0.86 TSHR (0.73) CA1CA2TDP1CA12CA7
SCHEMBL13876418 0.85 CA1 (0.57) CA1CA2TDP1CA12CA7
SCHEMBL4333209 0.85 CA1 (0.57) CA1CA2TDP1CA12CA7
SCHEMBL28599280 0.85 CA1 (0.57) CA1CA2TDP1CA12CA7
SCHEMBL1516780 0.85 CA1 (0.57) CA1CA2TDP1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55066503-A None JP disclosed
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
WO-2024028604-A1 MORPHOLINE-3-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
CN-115010584-B Method for synthesizing aromatic ketone by iron-catalyzed oxidation of tertiary carbon bond breaking of benzyl position 南京师范大学 2023-12-12 CN disclosed
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
EP-0979221-A1 A PROCESS FOR MAKING STERICALLY-HINDERED BETA-DIKETONES HENKEL CORPORATION (US) 2000-02-16 EP disclosed
EP-0760359-B1 Method for preparing aromatic carbonate MITSUBISHI GAS CHEMICAL CO (JP) 1999-10-20 EP disclosed
US-5936129-A PREVENTING BY-PRODUCT PRODUCTION OF CHEMICAL CONDENSATION REACTION, REACTING A HINDERED ALIPHATIC ESTER AND A KETONE IN PRESENCE OF A STRONG BASE AND A SOLVENT, REACTING THE FORMED SOLUTION WITH THE KETONE HENKEL CORPORATION (US) 1999-08-10 US disclosed
WO-1998037047-A1 A PROCESS FOR MAKING STERICALLY-HINDERED BETA-DIKETONES HENKEL CORPORATION (US) 1998-08-27 WO disclosed
US-5714627-A REACTING A DIALKYL CARBONATE WITH AN AROMATIC CARBOXYLIC ACID ARYL ESTER IN THE PRESENCE OF A CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-02-03 US disclosed
EP-0760359-A1 Method for preparing aromatic carbonate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-03-05 EP disclosed
EP-0029320-B1 SECONDARY ETHANOL AMINES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1985-07-10 EP disclosed
US-4489057-A DIBENZOYLMETHANE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1984-12-18 US disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 US disclosed
JP-S5566503-A MOTHPROOFING AGENT IDEMITSU KOSAN CO LTD 1980-05-20 JP 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 (6 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A CA1 4779/4885CA2 2260/4885TDP1 264/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CA1 1734/4885CA2 3165/4885TDP1 813/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS CA1 3083/4885CA2 1016/4885TDP1 69/4885
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 CA1 4735/4885CA2 3463/4885TDP1 3805/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CA1 4697/4885CA2 2695/4885TDP1 474/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CA1 4697/4885CA2 2695/4885TDP1 474/4885

“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.