SCHEMBL529612

SCHEMBL529612

C=CCCOC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 2/20 0.59
F2 P00734 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL9568779 0.90 ESR1 (0.48) TDP1LMNAMAPK1SLC6A2KMT2A
SCHEMBL9844077 0.89 TDP1 (0.70) TDP1LMNAF2MAPK1HIF1A
SCHEMBL21986668 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL9568783 0.87 ALDH1A1 (0.58) TDP1LMNAMAPK1SLC6A2ALDH1A1
SCHEMBL6821332 0.86 TDP1 (0.71) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL31746274 0.86 TDP1 (0.71) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL4806447 0.86 TDP1 (0.71) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL24370565 0.84 CYP3A4 (0.54) TDP1LMNAMAPK1KMT2AALDH1A1
SCHEMBL11354710 0.84 TDP1 (0.62) TDP1LMNAMAPK1HIF1ASLC6A2
Hydrochloric Acid SCHEMBL10962809 0.84 TDP1 (0.67) TDP1LMNAMAPK1HIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264011-A Preparation method of ortho-bis-azide compound 安徽中医药大学 2025-01-07 CN claimed
CN-118084725-A 1-Cyano 2-hydroxy compound and preparation method thereof 南京工业大学 2024-05-28 CN claimed
EP-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 EP disclosed
EP-4691242-A1 PESTICIDALLY-ACTIVE 2,2-DIHALOCYCLOPROPYL COMPOUNDS Syngenta Crop Protection AG (CH) 2026-02-11 EP disclosed
WO-2025214612-A1 PESTICIDALLY-ACTIVE 2,2-DIHALOCYCLOPROPYL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-10-16 WO disclosed
WO-2025201636-A1 PESTICIDALLY-ACTIVE 2,2-DIHALOCYCLOPROPYL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-10-02 WO disclosed
US-12377407-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-08-05 US disclosed
US-12312377-B2 Biconjugatable labels and methods of use Quantum-Si Incorporated (US) 2025-05-27 US disclosed
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2025-02-20 US disclosed
CN-119264011-A Preparation method of ortho-bis-azide compound 安徽中医药大学 2025-01-07 CN disclosed
CN-118084725-A 1-Cyano 2-hydroxy compound and preparation method thereof 南京工业大学 2024-05-28 CN disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070055448-A1 Primary rat hepatocyte toxicity modeling GENE LOGIC INC. (US) 2007-03-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed
US-4889870-A 2-(2,2-Difluorocyclopropyl)alkyl esters, processes for their preparation and their use as insecticides and acaricides SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-26 US disclosed
EP-0277908-A2 2-(2,2-Difluorocyclopropyl)-alkylester, process of preparation and use as insecticide and acaricide SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-10 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 (5 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TDP1 3248/4885LMNA 3429/4885F2 569/4885
US-12377407-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB TDP1 2445/4885LMNA 4173/4885F2 794/4885
US-12312377-B2 Biconjugatable labels and methods of use CLTB, HLCS, CD44 TDP1 815/4885LMNA 1007/4885F2 2935/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TDP1 947/4885LMNA 1762/4885F2 4847/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TDP1 3248/4885LMNA 3429/4885F2 569/4885

“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.