SCHEMBL5768982

SCHEMBL5768982

COC(=O)c1[nH]cc(-c2ccc(OC(C)C)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PRMT3 O60678 2/20 0.38
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
PRMT1 Q99873 2/20 0.38
PRMT8 Q9NR22 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ATM Q13315 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
SCHEMBL5768977 0.90 PRMT3 (0.38) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL5769402 0.88 CA12 (0.44) KMT2AMMP2MMP3HTTCA12
SCHEMBL5770188 0.87 ESR2 (0.47) NPC1MAPTRAB9ASMN1; SMN2CA12
SCHEMBL5772174 0.78 SLC6A3 (0.53) HPGDALDH1A1CYP1A2ERN1
SCHEMBL5946257 0.77 MAPT (0.47) TP53NPC1MAPTHPGDRAB9A
SCHEMBL5768912 0.76 ALDH2 (0.42) ALDH2MAOAMAOBPRMT3CARM1
SCHEMBL5769437 0.72 ALDH2 (0.39) ALDH2MAOAMAOBKMT2AMEN1
SCHEMBL6370434 0.70 HTR3A (0.47)
SCHEMBL863444 0.70 ESR2 (0.58) ALDH2MAOAMAOBKMT2AMEN1
SCHEMBL5505257 0.70 ALDH1A1 (0.39) KMT2AMAPTHPGDACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 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-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 ALDH2 4855/4885MAOA 4449/4885MAOB 4248/4885

“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.