SCHEMBL4223544

SCHEMBL4223544

Cc1c(Cc2ccccc2)c2ccccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 6/20 0.56
GPR3 P46089 1/20 0.52
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 4/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3085397 0.88 GPR3 (0.47) KDM4EALDH1A1HPGDGPR3NPSR1
SCHEMBL31558739 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGPR3NPSR1
SCHEMBL3852409 0.81 PLA2G2A (0.46) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL13270705 0.81 PTGDR2 (0.46) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL1925036 0.79 GPR3 (0.58) KDM4EALDH1A1HPGDGPR3NPSR1
SCHEMBL9583415 0.79 SMN1; SMN2 (0.67) KDM4EALDH1A1NPSR1LMNACYP19A1
SCHEMBL28032513 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL1094001 0.79 GPR3 (0.52) KDM4EALDH1A1HPGDGPR3NPSR1
SCHEMBL19538924 0.78 GPR3 (0.56) KDM4EALDH1A1HPGDGPR3NPSR1
SCHEMBL3969842 0.78 GPR3 (0.56) KDM4EALDH1A1HPGDGPR3NPSR1

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-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
CN-101175822-A Trimethine dimer compound and optical recording medium using the same MITSUI CHEMICALS INC (JP) 2008-05-07 CN disclosed
EP-1900779-A1 TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME Mitsui Chemicals, Inc. (JP) 2008-03-19 EP 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-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same TXNL1, TMCO1, TFPI2 KDM4E 3379/4885ALDH1A1 3651/4885HPGD 3303/4885

“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.