SCHEMBL19201062

SCHEMBL19201062

Bn1c(C)c(C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 2/20 0.43
GPR3 P46089 1/20 0.41
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CYP2C19 P33261 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL17853279 0.75 GPR3 (0.52) KDM4EALDH1A1GPR3POLBCYP2C19
SCHEMBL483003 0.74 GPR3 (0.61) KDM4EALDH1A1GPR3HSD17B10CYP2C19
SCHEMBL31132408 0.74 GPR3 (0.61) KDM4EALDH1A1GPR3HSD17B10CYP2C19
SCHEMBL19152625 0.74 TSHR (0.36) KDM4EALDH1A1GPR3POLBHSD17B10
Bromide SCHEMBL15569971 0.73 GPR3 (0.58) KDM4EALDH1A1GPR3HSD17B10CYP2C19
SCHEMBL21653639 0.73 KDM4E (0.44) KDM4EALDH1A1GPR3HSD17B10LMNA
Iodide SCHEMBL344509 0.73 GPR3 (0.58) KDM4EALDH1A1GPR3HSD17B10CYP2C19
SCHEMBL3972584 0.73 KDM4E (0.44) KDM4EALDH1A1GPR3HSD17B10LMNA
SCHEMBL3220620 0.73 KDM4E (0.44) KDM4EALDH1A1GPR3HSD17B10LMNA
Bromide SCHEMBL15569972 0.73 GPR3 (0.58) KDM4EALDH1A1GPR3HSD17B10CYP2C19

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-20230099759-A1 POLYCYCLIC COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-30 US disclosed
US-20170222159-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-08-03 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 (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-20170222159-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SLC39A14, MCU KDM4E 3231/4885ALDH1A1 843/4885GPR3 4764/4885
US-20230099759-A1 POLYCYCLIC COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND SLCO4C1, SLCO1A2, PORCN KDM4E 2485/4885ALDH1A1 1499/4885GPR3 4415/4885

“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.