SCHEMBL5729707

SCHEMBL5729707

CC(Oc1ccc(-c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)cc1)C1CCCCN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 4/20 0.32
PTGS1 P23219 1/20 0.32
PDE3A Q14432 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL5730042 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL6394079 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL5729296 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL6307449 0.87 PTGS1 (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL5730209 0.86 S1PR1 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL5729286 0.86 PTGS1 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL7662656 0.85 ALDH1A1 (0.33) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5730165 0.84 FFAR2 (0.32) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL5730779 0.84 ALDH1A1 (0.30) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL5730764 0.84 ALDH1A1 (0.30) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SLC6A2 3794/4885SLC6A4 3017/4885SLC6A3 3077/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 SLC6A2 3794/4885SLC6A4 3017/4885SLC6A3 3077/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 SLC6A2 4318/4885SLC6A4 4213/4885SLC6A3 3890/4885

“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.