SCHEMBL5744783

SCHEMBL5744783

COc1cc(C)c(I)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
TUBB1 Q9H4B7 2/20 0.41
CGAS Q8N884 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SNCA P37840 1/20 0.39
MAOA P21397 3/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
RAB9A P51151 1/20 0.38
TRPA1 O75762 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
SCHEMBL24110786 0.82 MAOB (0.46) MAOBCGASALDH1A1MEN1KMT2A
SCHEMBL11141284 0.81 TUBB1 (0.50) MAOBTUBB1CGASALDH1A1MEN1
SCHEMBL7136324 0.81 ACHE (0.42) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3674401 0.79 MAOB (0.48) MAOBTUBB1MEN1KMT2AHPGD
SCHEMBL24307238 0.79 TAAR1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL29421892 0.79 MAOB (0.48) MAOBTUBB1MEN1KMT2AHPGD
SCHEMBL3850148 0.77 CGAS (0.42) MAOBCGASALDH1A1MEN1KMT2A
SCHEMBL2911478 0.77 MAOB (0.42) MAOBTUBB1CGASALDH1A1MEN1
SCHEMBL19669154 0.76 MAPT (0.43) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL5747482 0.76 ACHE (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 MAOB 4248/4885TUBB1 3596/4885CGAS 1865/4885

“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.