Sugi Predict

Sugi Predict / Compounds / SCHEMBL5215607

SCHEMBL5215607

SCHEMBL5215607

O=[C]c1cccc(OCCN2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.61
▸ KDM4E B2RXH2 4/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ BACE1 P56817 1/20 0.59
▸ POLB P06746 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ PTGS2 P35354 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ACACB O00763 1/20 0.52
▸ PSMB1 P20618 1/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ PSMB2 P49721 1/20 0.51

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
SCHEMBL5215621 0.99 BACE1 (0.62) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL2319325 0.85 LTA4H (0.61) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL30357733 0.85 LTA4H (0.61) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL7590612 0.83 PSMB1 (0.63) LTA4HKDM4EPTGS2PSMB1PSMB5
SCHEMBL1985063 0.81 PSMB1 (0.66) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL4870283 0.79 SRC (0.51) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL255201 0.79 LTA4H (0.86) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
Ammonia Solution, Strong SCHEMBL264615 0.77 LTA4H (0.83) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL5870409 0.77 LTA4H (0.83) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL3951411 0.77 LTA4H (0.83) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 — — US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 — — EP disclosed
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 — — EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 — — US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 — — US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 — — US disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 — — US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 — — US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 — — US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 — — US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 — — 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
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 — — US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 — — US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 — — US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 — — EP disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 — — EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 — — WO disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 — — 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 (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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 LTA4H 886/4885KDM4E 2429/4885SMN1; SMN2 4686/4885
US-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 LTA4H 1438/4885KDM4E 2354/4885SMN1; SMN2 4806/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 LTA4H 886/4885KDM4E 2429/4885SMN1; SMN2 4686/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 LTA4H 1438/4885KDM4E 2354/4885SMN1; SMN2 4806/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 LTA4H 1438/4885KDM4E 2354/4885SMN1; SMN2 4806/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 LTA4H 1094/4885KDM4E 3177/4885SMN1; SMN2 4657/4885

“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.