SCHEMBL5728694

SCHEMBL5728694

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
GPBAR1 Q8TDU6 6/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 1/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 1/20 0.40
GABRA5 P31644 1/20 0.40
PLTP P55058 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5728792 0.93 PTGS1 (0.48) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL5730021 0.86 KMT2A (0.46) GPBAR1MAPTALDH1A1MEN1KMT2A
SCHEMBL5729117 0.85 PTGS1 (0.55) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL5729240 0.85 SRD5A2 (0.41) MAPTALDH1A1MEN1KMT2AGFER
SCHEMBL5729070 0.84 ALDH1A1 (0.46) GPBAR1MAPTALDH1A1MEN1KMT2A
SCHEMBL5730435 0.82 MAPT (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5729425 0.82 MEN1 (0.49) GPBAR1MEN1KMT2ASMN1; SMN2PTGS1
SCHEMBL5730307 0.82 MEN1 (0.49) GPBAR1MEN1KMT2ASMN1; SMN2PTGS1
SCHEMBL5729074 0.81 POLB (0.47) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL5729550 0.80 PTGS1 (0.46) MAPK1MAPTALDH1A1MEN1KMT2A

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 MAPK1 3143/4885GPBAR1 71/4885MAPT 1579/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MAPK1 3143/4885GPBAR1 71/4885MAPT 1579/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 MAPK1 2431/4885GPBAR1 103/4885MAPT 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.