SCHEMBL13600284

SCHEMBL13600284

Cc1cc2c(o1)Cc1ncncc1-2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13600278 0.77 CCR1 (0.34) TDP1KMT2A
SCHEMBL12856186 0.74 CDC25B (0.35) CYP3A4CYP2D6CYP2C19MEN1ALDH1A1
SCHEMBL13600314 0.74 TDP1 (0.45) TDP1CYP3A4MEN1KMT2A
SCHEMBL13600282 0.70 HSP90AA1 (0.33) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL26266957 0.68 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C19MEN1ALDH1A1
SCHEMBL26266954 0.64 CYP3A4 (0.35) CYP3A4CYP2D6CYP2C19MEN1ALDH1A1
O-Xylene SCHEMBL28606979 0.63 CYP1A2 (0.50) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL26266960 0.63 CYP3A4 (0.33) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL26266965 0.63 CYP3A4 (0.35) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL10356401 0.63 TDP1 (0.37) TDP1

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 TDP1 4825/4885CYP3A4 321/4885CYP2D6 276/4885

“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.