SCHEMBL5729417

SCHEMBL5729417

Oc1ccc(-c2noc(-c3ccc(O)cc3)c2CSc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX5 P09917 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
DUSP3 P51452 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL6767539 0.93 ESR1 (0.36) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL5729834 0.78 ESR1 (0.43) ESR1ESR2MEN1KMT2ADUSP3
SCHEMBL5730184 0.76 FFAR4 (0.46) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL5728829 0.76 ESR1 (0.45) ESR1ESR2MEN1KMT2ADUSP3
SCHEMBL5729197 0.74 ESR1 (0.44) ESR1ESR2LMNANPSR1MEN1
SCHEMBL5729781 0.74 ESR1 (0.44) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL5729783 0.72 ESR1 (0.48) ESR1ESR2LMNANPSR1MEN1
SCHEMBL5729331 0.71 ESR1 (0.63) ESR1ESR2MEN1KMT2ADUSP3
SCHEMBL2722992 0.71 ESR1 (0.63) ESR1ESR2MEN1KMT2ADUSP3
SCHEMBL5729395 0.71 NR1H4 (0.43) ESR1ESR2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP 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 (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 ESR1 1/4885ESR2 2/4885NPC1 1144/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885NPC1 1144/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ESR1 3/4885ESR2 1/4885NPC1 511/4885

“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.