SCHEMBL4407002

SCHEMBL4407002

Cc1cccc(-c2cc(-c3ccc(-c4ccccn4)nc3)cc(-c3cccc(C)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.51
TGFBR1 P36897 1/20 0.48
HPGDS O60760 2/20 0.47
DCTPP1 Q9H773 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
METAP1 P53582 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL12925807 0.91 HPGDS (0.54) GRM5TGFBR1HPGDSHSD17B1HSD17B2
SCHEMBL4406991 0.91 HSD17B1 (0.51) HSD17B1HSD17B2BCHEACHECCR1
SCHEMBL4400277 0.89 HSD17B1 (0.50) HSD17B1HSD17B2BCHEACHECCR1
SCHEMBL4406987 0.87 KDM4E (0.48) GRM5TGFBR1HPGDSKDM4ELMNA
SCHEMBL4404645 0.87 HSD17B1 (0.55) HSD17B1HSD17B2BCHEACHECCR1
SCHEMBL4402499 0.87 HPGDS (0.46) GRM5HPGDSHSD17B1HSD17B2KDM4E
SCHEMBL15459158 0.86 TGFBR1 (0.44) GRM5TGFBR1HPGDSHSD17B1HSD17B2
SCHEMBL4402814 0.86 PKM (0.48) GRM5TGFBR1HPGDSDCTPP1KDM4E
SCHEMBL19009231 0.85 GRM5 (0.57) GRM5TGFBR1DCTPP1BCHEACHE
SCHEMBL12925537 0.85 KDM4E (0.58) HPGDSHSD17B1HSD17B2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 GRM5 4378/4885TGFBR1 2888/4885HPGDS 4541/4885

“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.