SCHEMBL5706378

SCHEMBL5706378

O=C(Cl)c1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.55
LTA4H P09960 13/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
AURKB Q96GD4 1/20 0.42

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
Hydrochloric Acid SCHEMBL6560096 0.99 CHEK2 (0.54) CHEK2LTA4HHRH2HRH1AURKB
SCHEMBL6004777 0.99 CHEK2 (0.54) CHEK2LTA4HHRH2HRH1AURKB
SCHEMBL3866051 0.88 CHEK2 (0.56) CHEK2LTA4HHRH2HRH1
Hydrochloric Acid SCHEMBL6561583 0.87 CHEK2 (0.55) CHEK2LTA4HHRH2HRH1
SCHEMBL7447377 0.86 LTA4H (0.56) CHEK2LTA4HHRH2HRH1AURKB
SCHEMBL6053346 0.85 CHEK2 (0.58) CHEK2LTA4HHRH2HRH1
SCHEMBL7335065 0.85 LTA4H (0.54) CHEK2LTA4H
SCHEMBL6560708 0.85 MAPT (0.56) CHEK2LTA4HHRH2HRH1
Hydrochloric Acid SCHEMBL7328923 0.84 LTA4H (0.53) CHEK2LTA4H
SCHEMBL6765314 0.83 CHEK2 (0.52) CHEK2HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160257-A Synthetic preparation method of curcumin derivative 河南省锐达医药科技有限公司 2022-10-11 CN disclosed
CN-104744428-A Raloxifene production method LI LEI 2015-07-01 CN disclosed
EP-1713820-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
EP-1709021-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed
WO-2005073244-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed
EP-1551822-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2005-07-13 EP disclosed
EP-1546139-A1 DERIVATIVE OF DIHYDRO-DIBENZO (A) ANTHRACENES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
WO-2004009578-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
WO-2004009603-A1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
WO-2002018364-A2 PROCESS FOR PREPARING 2-PHENYL-3-AMINOBENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed
EP-1159268-A1 N-SUBSTITUTED BENzOYL INDOLES AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-05 EP disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
WO-2000051983-A1 N-SUBSTITUTED BENzOYL INDOLES AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 WO 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 (2 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CHEK2 1773/4885LTA4H 886/4885HRH2 696/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CHEK2 1773/4885LTA4H 886/4885HRH2 696/4885

“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.