SCHEMBL5729700

SCHEMBL5729700

CC(Oc1cccc(C(=O)c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)c1)C1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL5729312 0.97 PTGS1 (0.34) PTGS1MEN1KMT2ATSHR
SCHEMBL5729587 0.94 ALDH1A1 (0.38) PTGS1MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6311267 0.93 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL5731066 0.90 PTGS1 (0.34) PTGS1MEN1KMT2AALDH1A1LMNA
SCHEMBL5729286 0.88 PTGS1 (0.34) PTGS1ALDH1A1
SCHEMBL6307449 0.87 PTGS1 (0.35) PTGS1ALDH1A1
SCHEMBL5730364 0.86 MEN1 (0.35) PTGS1MEN1KMT2ATSHRCHRNB4
SCHEMBL6304492 0.86 MLLT1 (0.34) PTGS1CHRNB4CHRNA3ALDH1A1
SCHEMBL5729513 0.84 SLC6A2 (0.37) PTGS1MEN1KMT2AALDH1A1LMNA
SCHEMBL5729633 0.84 SLC6A2 (0.37) PTGS1MEN1KMT2AALDH1A1LMNA

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 PTGS1 588/4885MEN1 2458/4885KMT2A 2788/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS1 588/4885MEN1 2458/4885KMT2A 2788/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PTGS1 413/4885MEN1 1663/4885KMT2A 3535/4885

“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.