SCHEMBL4407003

SCHEMBL4407003

Cc1ccc(-c2ccc(C)cc2-c2ccc(-c3ccccn3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
PKM P14618 4/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BTK Q06187 1/20 0.43
HPGDS O60760 1/20 0.43
COMT P21964 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
METAP1 P53582 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41

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
SCHEMBL4402825 0.89 CCR1 (0.48) TP53MEN1KMT2ACOMTKDM4E
SCHEMBL15459158 0.87 TGFBR1 (0.44) TGFBR1PKMTP53MEN1KMT2A
SCHEMBL4402811 0.87 TGFBR1 (0.44) TGFBR1PKMTP53MEN1KMT2A
SCHEMBL12339162 0.82 KDM4E (0.52) TGFBR1PKMTP53MEN1KMT2A
SCHEMBL12925656 0.82 KDM4E (0.56) TGFBR1PKMTP53HPGDSKDM4E
SCHEMBL4402814 0.81 PKM (0.48) TGFBR1PKMTP53MEN1KMT2A
SCHEMBL9974986 0.81 KDM4E (0.50) TGFBR1PKMTP53HPGDSKDM4E
SCHEMBL12914269 0.80 GRM5 (0.46) TGFBR1PKMTP53MEN1KMT2A
SCHEMBL30090445 0.80 GRM5 (0.46) TGFBR1PKMTP53MEN1KMT2A
SCHEMBL12925598 0.79 KDM4E (0.52) TGFBR1PKMTP53HPGDSKDM4E

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 TGFBR1 2888/4885PKM 2258/4885TP53 4235/4885

“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.