SCHEMBL19960331

SCHEMBL19960331

S=P(c1ccccc1)(c1ccc2ccccc2c1)c1ccc2cc(-c3ccc4c5c6ccccc6ccc5c5nc6ccc(P(=S)(c7ccccc7)c7ccc8ccccc8c7)cc6n5c4c3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
AHR P35869 1/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 3/20 0.33
CAMKK1 Q8N5S9 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP7 P55210 1/20 0.33
SRC P12931 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL19960321 0.99 HPGD (0.35) ALDH1A1HPGDKDM4EAHRKMT2A
SCHEMBL19960339 0.96 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EAHRKMT2A
SCHEMBL19965926 0.94 AHR (0.33) ALDH1A1HPGDKDM4EAHRKMT2A
SCHEMBL19965997 0.94 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EAHRKMT2A
SCHEMBL20090080 0.94 HPGD (0.42) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19960319 0.93 AHR (0.34) ALDH1A1HPGDKDM4EAHRKMT2A
SCHEMBL20090085 0.93 HPGD (0.40) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19960333 0.91 AHR (0.33) ALDH1A1HPGDKDM4EAHRKMT2A
SCHEMBL19960327 0.90 AHR (0.34) AHRKMT2ASMN1; SMN2MAPTCAMKK1
SCHEMBL19960279 0.90 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EAHRKMT2A

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-10700289-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 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-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 750/4885HPGD 2982/4885KDM4E 1997/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 ALDH1A1 750/4885HPGD 2982/4885KDM4E 1997/4885

“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.