SCHEMBL3208903

SCHEMBL3208903

COC(=O)c1cccc(CC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
PTGS2 P35354 1/20 0.46
SLC7A5 Q01650 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL774860 0.79 RAB9A (0.64) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6252554 0.76 ALDH1A1 (0.51) EGFRPTGS2MEN1KMT2AMAPT
SCHEMBL3199806 0.74 PTPN1 (0.67) EGFRMEN1KMT2AMAPTKDM4E
SCHEMBL10420734 0.74 LOXL2 (0.59) EGFRCYP4F2CYP4A11SLC7A5LOXL2
SCHEMBL7168573 0.73 LOXL2 (0.57) CYP4F2CYP4A11SLC7A5LOXL2MEN1
SCHEMBL3217125 0.73 CYP1A2 (0.45) EGFRPTGS2MEN1KMT2AMAPT
SCHEMBL12092935 0.73 PTGS1 (0.55) EGFRPTGS2MEN1KMT2AMAPT
SCHEMBL3910111 0.72 EGFR (0.61) EGFRPTGS2MEN1KMT2AMAPT
SCHEMBL14240788 0.72 SMN1; SMN2 (0.59) MAPTKDM4ESMN1; SMN2CYP1A2RAB9A
SCHEMBL20354326 0.72 LOXL2 (0.56) CYP4F2CYP4A11SLC7A5LOXL2MAPT

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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 (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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B EGFR 3486/4885CYP4F2 3496/4885CYP4A11 2306/4885

“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.