SCHEMBL5446276

SCHEMBL5446276

COC(=O)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
PPARA Q07869 2/20 0.52
MAOB P27338 4/20 0.50
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
ALOX5 P09917 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL20954694 0.94 MTNR1A (0.48) L3MBTL1PPARAMAOBMTNR1AMTNR1B
SCHEMBL20954700 0.93 MTNR1A (0.58) L3MBTL1PPARAMAOBMTNR1AMTNR1B
SCHEMBL6247717 0.93 MAOB (0.60) L3MBTL1PPARAMAOBMTNR1AMTNR1B
SCHEMBL20954710 0.91 MTNR1A (0.47) L3MBTL1PPARAMAOBMTNR1AMTNR1B
SCHEMBL20954703 0.91 MEN1 (0.51) L3MBTL1PPARAMTNR1AMTNR1BNPC1
SCHEMBL8088656 0.89 MRGPRX4 (0.47) L3MBTL1PPARAMAOBMTNR1AMTNR1B
SCHEMBL20954708 0.88 MTNR1A (0.43) L3MBTL1PPARAMTNR1AMTNR1B
SCHEMBL13760599 0.86 ALDH1A1 (0.51) L3MBTL1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL10927781 0.86 S1PR1 (0.57) L3MBTL1PPARAMAOBNPC1RAB9A
SCHEMBL3813849 0.86 PTGER1 (0.54) L3MBTL1MAOBSMN1; SMN2ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives BICBIO CO., LTD. (KR) 2007-02-15 US disclosed
WO-2005037815-A1 A MANUFACTURING PROCESS OF ISOFLAVAN OR ISOFLAVENE DERIVATIVES BICBIO CO., LTD. (KR) 2005-04-28 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 (1 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-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives CYP51A1, CYP2E1, CYP2F1 L3MBTL1 4703/4885PPARA 1435/4885MAOB 701/4885

“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.