SCHEMBL17805147

SCHEMBL17805147

c1ccc(C2(c3ccc(-c4ccc(Nc5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 3/20 0.36
AR P10275 1/20 0.36
HSD17B10 Q99714 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL15003689 0.97 PDK2 (0.50) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL20435268 0.97 PDK2 (0.50) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL29634238 0.97 PDK2 (0.50) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL17805030 0.95 PDK2 (0.54) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL17194800 0.93 PDK2 (0.47) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL29456733 0.92 PDK2 (0.57) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL30704739 0.92 PDK2 (0.57) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL782126 0.92 PDK2 (0.57) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL29535692 0.92 PDK2 (0.53) PDK2MEN1KMT2AMAPTKDM4E
SCHEMBL15312993 0.92 PDK2 (0.53) PDK2MEN1KMT2AMAPTKDM4E

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-10756275-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2020-08-25 US disclosed
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
EP-3029023-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2016-06-08 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-10756275-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment CHRM1, L1CAM, ESR1 PDK2 2295/4885MEN1 367/4885KMT2A 1240/4885
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT CHRM1, L1CAM, ESR1 PDK2 2295/4885MEN1 367/4885KMT2A 1240/4885

“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.