SCHEMBL3909029

SCHEMBL3909029

COc1ccccc1-c1cc(OC(C)(C)C)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 3/20 0.51
DHODH Q02127 1/20 0.49
HSP90AA1 P07900 2/20 0.48
ADORA2A P29274 1/20 0.48
HSP90AB1 P08238 1/20 0.48
TACR3 P29371 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46

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
SCHEMBL12736560 0.87 SMN1; SMN2 (0.59) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL16098548 0.84 MEN1 (0.52) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL16098942 0.84 HPGD (0.47) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL12711140 0.83 HSP90AA1 (0.41) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3909868 0.81 HSP90AA1 (0.55) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL16098101 0.80 KDM4E (0.77) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8227339 0.78 DHODH (0.55) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL16098945 0.76 HPGD (0.57) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL16097509 0.76 SMN1; SMN2 (0.57) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13957845 0.76 DHODH (0.66) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E

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 6 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
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO 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 LMNA 2132/4885HPGD 1467/4885SMN1; SMN2 4800/4885

“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.