SCHEMBL20172799

SCHEMBL20172799

CN(c1ccccc1C(F)(F)F)c1cccc2c1oc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CDC14B O60729 3/20 0.38
CDC14A Q9UNH5 3/20 0.38
ALOX5 P09917 3/20 0.35
PGR P06401 1/20 0.34
ACP1 P24666 1/20 0.34
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
LMNA P02545 2/20 0.33
MAOA P21397 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL20172837 0.88 ACP1 (0.35) MEN1CYP2C19KMT2ACDC14BCDC14A
SCHEMBL20172783 0.87 KMT2A (0.43) MEN1CYP2C19KMT2ACDC14BCDC14A
SCHEMBL20172803 0.84 MCL1 (0.33) ACP1KIF11ESR1CYP1A2CYP2D6
SCHEMBL20172828 0.84 ACP1 (0.33) MEN1CYP2C19KMT2AACP1KIF11
SCHEMBL20172811 0.84 ACP1 (0.33) ACP1NPC1RAB9AKIF11ESR1
SCHEMBL20172859 0.82 ACP1 (0.34) ACP1KIF11ESR1CYP1A2CYP2D6
SCHEMBL20172842 0.82 ACP1 (0.33) MEN1CYP2C19KMT2AACP1EPHX2
SCHEMBL21020271 0.81 P2RX7 (0.35) ACP1KIF11ESR1
SCHEMBL21021441 0.81 ESR1 (0.37) MEN1KMT2AALOX5ACP1LMNA
SCHEMBL20172788 0.81 ALOX5 (0.38) MEN1CYP2C19KMT2AALOX5PGR

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 MEN1 801/4885CYP2C19 609/4885KMT2A 517/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MEN1 565/4885CYP2C19 663/4885KMT2A 280/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MEN1 801/4885CYP2C19 609/4885KMT2A 517/4885

“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.