SCHEMBL4483929

SCHEMBL4483929

Cc1ccc2c(c1)Cc1c-2c2ccccc2n1C.Cn1cc(Br)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
BRD4 O60885 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
IMPDH2 P12268 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4489420 0.88 NTRK1 (0.46) NTRK1ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL7124714 0.73 GPR3 (0.45) NTRK1ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL29371597 0.73 GPR3 (0.45) NTRK1ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL2978540 0.72 MEN1 (0.41) NTRK1ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL1891947 0.71 GPR84 (0.55) ALDH1A1HTR2AIMPDH2KDM4EMAPT
SCHEMBL21919935 0.69 ALDH1A1 (0.39) ALDH1A1IMPDH2KDM4EMAPTMEN1
SCHEMBL21903029 0.68 KDR (0.35) NTRK1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL13600300 0.68 HTR2A (0.43) NTRK1ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL27432871 0.66 GPR3 (0.46) NTRK1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL27432874 0.66 GPR3 (0.46) NTRK1ALDH1A1KDM4EHSD17B10MAPT

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-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-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 NTRK1 3369/4885BRD4 1608/4885ALDH1A1 1577/4885

“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.