SCHEMBL8227339

SCHEMBL8227339

COc1ccccc1-c1cc(O)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
TACR3 P29371 1/20 0.53
LMNA P02545 5/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 1/20 0.52
ADORA2A P29274 1/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
GUSB P08236 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49

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
SCHEMBL12732472 0.86 KDM4E (0.56) TACR3LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL2124183 0.85 KDM4E (0.50) DHODHTACR3HPGDKDM4EMEN1
SCHEMBL3912049 0.85 CA12 (0.46) DHODHTACR3LMNAHPGDSMN1; SMN2
SCHEMBL12708299 0.83 DHFR (0.43) DHODHTACR3HPGDSMN1; SMN2ALDH1A1
SCHEMBL3909868 0.82 HSP90AA1 (0.55) DHODHTACR3LMNAHPGDSMN1; SMN2
SCHEMBL4009138 0.81 DHODH (0.81) DHODHTACR3LMNAHPGDSMN1; SMN2
SCHEMBL13316855 0.80 MEN1 (0.54) TACR3HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL13957845 0.79 DHODH (0.66) DHODHTACR3LMNAHPGDSMN1; SMN2
SCHEMBL18294637 0.79 HIF1A (0.49) HPGDKDM4EMEN1KMT2APOLB
SCHEMBL3909029 0.78 LMNA (0.56) DHODHTACR3LMNAHPGDSMN1; SMN2

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT DHODH 2415/4885TACR3 2894/4885LMNA 2132/4885

“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.