SCHEMBL5729286

SCHEMBL5729286

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
DHFR P00374 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL5731066 0.97 PTGS1 (0.34) PTGS1TP53MAPTALDH1A1
SCHEMBL5729633 0.97 SLC6A2 (0.37) PTGS1MAPTSLC6A3SLC6A2SLC6A4
SCHEMBL5729513 0.97 SLC6A2 (0.37) PTGS1MAPTSLC6A3SLC6A2SLC6A4
SCHEMBL6307449 0.96 PTGS1 (0.35) PTGS1TP53SLC6A3SLC6A2SLC6A4
SCHEMBL5729044 0.93 SLC6A2 (0.39) PTGS1MAPTSLC6A3SLC6A2SLC6A4
SCHEMBL6304492 0.93 MLLT1 (0.34) PTGS1ALDH1A1HPGD
SCHEMBL5729312 0.90 PTGS1 (0.34) PTGS1SLC6A3SLC6A2SLC6A4
SCHEMBL5729705 0.90 ESR1 (0.35) ALDH1A1HPGD
SCHEMBL5729349 0.89 S1PR1 (0.33) SLC6A3SLC6A2SLC6A4
SCHEMBL5730779 0.89 ALDH1A1 (0.30) SLC6A3SLC6A2SLC6A4ALDH1A1HPGD

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 10 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 claimed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US claimed
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 PTGS1 588/4885TP53 970/4885MAPT 1579/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS1 588/4885TP53 970/4885MAPT 1579/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PTGS1 413/4885TP53 479/4885MAPT 2526/4885

“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.