SCHEMBL19977776

SCHEMBL19977776

c1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5oc6ccccc6c5cc43)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.38
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGER4 P35408 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAOA P21397 1/20 0.30
BCAT1 P54687 1/20 0.30

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
SCHEMBL19977777 0.95 AHR (0.38) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL15030653 0.87 AHR (0.35) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL19977851 0.86 KDM4E (0.32) KDM4E
SCHEMBL15030876 0.84 AHR (0.35) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL19977880 0.84 KDM4E (0.32) KDM4E
SCHEMBL15030774 0.83 AHR (0.37) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL15030692 0.82 PLA2G2A (0.36) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL19979683 0.82
SCHEMBL15030760 0.81 MMP12 (0.34) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL15030643 0.81 ALDH1A1 (0.37) ALDH1A1HPGDCYP1A2CYP2D6CYP2C19

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-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 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 (1 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-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG AHR 771/4885KDM4E 2931/4885MEN1 839/4885

“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.