SCHEMBL4489420

SCHEMBL4489420

Cc1ccc2c(c1)Cc1c-2c2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
GPR3 P46089 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO2 P16083 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 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
SCHEMBL4483929 0.88 NTRK1 (0.38) NTRK1HTR2AHTR2CKDM4EMAPK1
SCHEMBL29371597 0.83 GPR3 (0.45) NTRK1HTR2AHTR2CKDM4EMAPK1
SCHEMBL7124714 0.83 GPR3 (0.45) NTRK1HTR2AHTR2CKDM4EMAPK1
SCHEMBL2978540 0.82 MEN1 (0.41) NTRK1HTR2AHTR2CKDM4EMAPK1
SCHEMBL21903029 0.78 KDR (0.35) NTRK1KDM4EMAPK1HSD17B10MAPT
SCHEMBL27432871 0.75 GPR3 (0.46) NTRK1KDM4EMAPK1HSD17B10GPR3
SCHEMBL27432874 0.75 GPR3 (0.46) NTRK1KDM4EHSD17B10GPR3MAPT
SCHEMBL18457082 0.75 KDR (0.35) NTRK1KDM4EMAPK1HSD17B10MAPT
SCHEMBL13600300 0.74 HTR2A (0.43) NTRK1HTR2AHTR2CKDM4EMAPK1
SCHEMBL19159482 0.72 HTR2A (0.47) NTRK1HTR2AHTR2CKDM4EMAPK1

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 10 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-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-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP 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
US-20040236115-A1 Synthesis of cyclopentadiene derivatives EQUISTAR CHEMICALS, LP 2004-11-25 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 (2 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-20040236115-A1 Synthesis of cyclopentadiene derivatives CYCS, DHPS, CBR1 NTRK1 3589/4885HTR2A 2844/4885HTR2C 2198/4885
US-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 NTRK1 3369/4885HTR2A 2476/4885HTR2C 1056/4885

“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.