SCHEMBL18084007

SCHEMBL18084007

COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.54
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 4/20 0.48
HTR6 P50406 1/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DCTPP1 Q9H773 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
CCR2 P41597 1/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 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
SCHEMBL18083995 0.94 P2RX4 (0.47) P2RX4MAPTALDH1A1KDM4EALOX15
SCHEMBL17414871 0.93 P2RX4 (0.53) P2RX4MAPTALDH1A1KMT2AMAPK1
SCHEMBL18083982 0.90 P2RX4 (0.47) P2RX4MAPTKMT2AMAPK1TSHR
SCHEMBL19821768 0.90 P2RX4 (0.45) P2RX4MAPTALDH1A1KDM4EALOX15
SCHEMBL18083981 0.90 GRIK2 (0.43) P2RX4MAPTALDH1A1KDM4EKMT2A
SCHEMBL22485936 0.86 PTGER4 (0.55) MAPTALDH1A1KDM4EKMT2AMAPK1
SCHEMBL18083988 0.86 GRIK2 (0.46) P2RX4MAPTALDH1A1KDM4EALOX15
SCHEMBL30822886 0.86 P2RX4 (0.45) P2RX4MAPTALDH1A1KDM4EKMT2A
SCHEMBL18083987 0.86 P2RX4 (0.45) P2RX4MAPTALDH1A1KDM4EKMT2A
SCHEMBL19821770 0.85 P2RX4 (0.40) P2RX4MAPTKDM4EKMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10680180-B2 Small molecule hole transporting material for optoelectronic and photoelectrochemical devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2020-06-09 US disclosed
US-20180033973-A1 SMALL MOLECULE HOLE TRANSPORTING MATERIAL FOR OPTOELECTRONIC AND PHOTOELECTROCHEMICAL DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-02-01 US disclosed
US-20180033973-A1 SMALL MOLECULE HOLE TRANSPORTING MATERIAL FOR OPTOELECTRONIC AND PHOTOELECTROCHEMICAL DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-02-01 US disclosed
EP-3065190-A1 Small molecule hole transporting material for optoelectronic and photoelectrochemical devices Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2016-09-07 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 (2 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-20180033973-A1 SMALL MOLECULE HOLE TRANSPORTING MATERIAL FOR OPTOELECTRONIC AND PHOTOELECTROCHEMICAL DEVICES SLC43A1, SLC7A5, SLCO2A1 P2RX4 1147/4885MAPT 1102/4885ALDH1A1 546/4885
US-10680180-B2 Small molecule hole transporting material for optoelectronic and photoelectrochemical devices SLC43A1, SLC7A5, SLCO2A1 P2RX4 1147/4885MAPT 1102/4885ALDH1A1 546/4885

“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.