SCHEMBL20174405

SCHEMBL20174405

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4ccccc34)ccc2-c2c1oc1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL20174722 0.88 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19
SCHEMBL20174353 0.88 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19
SCHEMBL20174345 0.87 ALDH1A1 (0.37) ENPP3ENPP1ALDH1A1HSD17B10KDM4E
SCHEMBL20174326 0.87 MAPK1 (0.33) ENPP3ENPP1ALDH1A1HSD17B10KDM4E
SCHEMBL20174323 0.87 MAPK1 (0.33) ENPP3ENPP1ALDH1A1HSD17B10KDM4E
SCHEMBL20174880 0.86 MCL1 (0.32) MCL1ACMSDENPP3ENPP1
SCHEMBL20199010 0.86 MCL1 (0.32) MCL1ACMSDENPP3ENPP1
SCHEMBL20199082 0.86 MCL1 (0.32) MCL1ACMSDENPP3ENPP1
SCHEMBL20174358 0.86 ALDH1A1 (0.36) ENPP3ENPP1ALDH1A1HSD17B10KDM4E
SCHEMBL20174723 0.86 ALDH1A1 (0.34) ENPP3ENPP1ALDH1A1HSD17B10KDM4E

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING 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 (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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG MCL1 3872/4885ACMSD 3903/4885ENPP3 3214/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MCL1 3872/4885ACMSD 3903/4885ENPP3 3214/4885

“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.