SCHEMBL20172804

SCHEMBL20172804

CCc1ccccc1N(C)c1cccc2c1oc1c(F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
PTGER1 P34995 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RIPK1 Q13546 2/20 0.33
AOC3 Q16853 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 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
SCHEMBL21021439 0.89 POLB (0.36) POLBRAB9ATAAR1PTGER1ALDH1A1
SCHEMBL21021446 0.88 ALOX5 (0.38) NPC1PTGER1GABRA1GABRB2ALOX5
SCHEMBL20172817 0.85 NPC1 (0.34) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL20650720 0.85 NPC1 (0.35) POLBNPC1RAB9ATAAR1PTGER1
SCHEMBL20172794 0.84 MCL1 (0.37) NPC1PTGER1GABRA1GABRB2ALOX5
SCHEMBL20172789 0.83 ALOX5 (0.48) NPC1RAB9AALDH1A1ALOX5KDM4E
SCHEMBL20172841 0.83 POLQ (0.36) NPC1PTGER1ALDH1A1KDM4ELMNA
SCHEMBL20172856 0.82 LMNA (0.35) NPC1PTGER1GABRA1GABRB2ALOX5
SCHEMBL20172802 0.81 ACHE (0.37) POLBNPC1RAB9AALDH1A1LMNA
SCHEMBL20172825 0.81 CYP1A2 (0.33) NPC1ALDH1A1GABRA1GABRB2ALOX5

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 POLB 3877/4885NPC1 3214/4885RAB9A 3113/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 POLB 2893/4885NPC1 1478/4885RAB9A 2691/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 POLB 3877/4885NPC1 3214/4885RAB9A 3113/4885

“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.