SCHEMBL642929

SCHEMBL642929

COC(=O)CCCCC(=O)Cl

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.46
KAT2B Q92831 3/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
EPHX2 P34913 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL19141 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL4204017 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL719374 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL7408161 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL2527082 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL7407458 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL9353850 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL989611 0.98 TSHR (0.64) TSHRALDH1A1LMNATP53RECQL
SCHEMBL48697 0.95 TSHR (0.75) TSHRALDH1A1LMNATP53RECQL
SCHEMBL14975 0.87 TSHR (0.88) TSHRALDH1A1LMNARECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP claimed
CN-122055150-A Cyproheptadine derivatives 思凯生科股份有限公司 2026-05-15 CN disclosed
EP-4332086-B1 COMPOUND OR SALT THEREOF, LIPID PARTICLES, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORP (JP) 2026-04-08 EP disclosed
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 EP disclosed
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 US disclosed
EP-4448523-A1 MACROCYCLIC BTK INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
CN-118696041-A Macrocyclic BTK inhibitors 克罗斯费尔肿瘤学控股有限公司 2024-09-24 CN disclosed
WO-2024130526-A1 A BIOORTHOGONAL CYCLOADDITION REACTION AND USE THEREOF NANJING UNIVERSITY (CN) 2024-06-27 WO disclosed
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 WO disclosed
EP-0156611-A2 Intermediates for the preparation of prostaglandin analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4536515-A Substituted phenylalkenoic acids and esters MERCK FROSST CANADA, INC. (CA) 1985-08-20 US disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 EP disclosed
US-4453005-A Process for preparing substituted phenylalkenoic acids MERCK FROSST CANADA, INC. (CA) 1984-06-05 US disclosed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP disclosed
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 EP disclosed
US-4082747-A CHEMICAL PROCESS MALLINCKRODT, INC. (US) 1978-04-04 US disclosed
US-4064227-A Radioimmunoassay method for the determination of cardiotonic glycosides MALLINCKRODT, INC. (US) 1977-12-20 US disclosed
US-4054740-A Hydroxybiotin HOFFMANN-LA ROCHE INC. (US) 1977-10-18 US disclosed
US-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 US 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 (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-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK TSHR 2394/4885ALDH1A1 4774/4885LMNA 3689/4885

“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.