SCHEMBL5729070

SCHEMBL5729070

O=C(c1cccc(Cl)c1)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 1/20 0.42
DUSP3 P51452 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PPARD Q03181 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5728604 0.88 HSD17B1 (0.48) PTGS1DUSP3HSD17B1HSD17B2ESR1
SCHEMBL5728694 0.84 MAPK1 (0.53) ALDH1A1MAPTMEN1GFERKMT2A
SCHEMBL5729117 0.84 PTGS1 (0.55) ALDH1A1MAPTMEN1KMT2APTGS1
SCHEMBL5729240 0.83 SRD5A2 (0.41) ALDH1A1MAPTMEN1GFERKMT2A
SCHEMBL5728792 0.82 PTGS1 (0.48) ALDH1A1MAPTMEN1GFERKMT2A
SCHEMBL5729599 0.81 CES2 (0.49) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL5729550 0.78 PTGS1 (0.46) ALDH1A1MAPTMEN1GFERKMT2A
SCHEMBL5730021 0.76 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2APTGS1
SCHEMBL17845135 0.75 RAB9A (0.44) ALDH1A1MAPTGPBAR1RAB9ALMNA
SCHEMBL5730104 0.75 ESR1 (0.50) ALDH1A1TDP1POLBTSHRLMNA

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 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 ALDH1A1 3101/4885MAPT 1579/4885MEN1 2458/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ALDH1A1 3101/4885MAPT 1579/4885MEN1 2458/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ALDH1A1 2294/4885MAPT 2526/4885MEN1 1663/4885

“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.