SCHEMBL13600282

SCHEMBL13600282

c1ncc2c(n1)Cc1occc1-2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C19 P33261 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12856186 0.76 CDC25B (0.35) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL13600284 0.70 TDP1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL2954620 0.67 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29534622 0.67 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL13171888 0.67 CYP1A2 (0.38) HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4390289 0.66 HSP90AA1 (0.59) HSP90AA1HSD17B10KDM4EMAPTTDP1
SCHEMBL31195993 0.66 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL7572577 0.63 MAOA (0.39) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
O-Xylene SCHEMBL28606979 0.61 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL18624244 0.61 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 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-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 HSP90AA1 4202/4885CYP1A2 43/4885CYP3A4 321/4885

“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.