SCHEMBL21189086

SCHEMBL21189086

Cc1ccc(C#N)c(C#N)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.49
ADORA2A P29274 3/20 0.49
ADRA2A P08913 1/20 0.49
HTT P42858 1/20 0.49
GRM6 O15303 1/20 0.47
ALDH1A1 P00352 9/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.45
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 10/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL22198972 0.86 HSD17B10 (0.53) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL15536686 0.85 TSHR (0.45) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL27909136 0.84 ALDH1A1 (0.47) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL29914867 0.84 ALDH1A1 (0.47) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL11163889 0.79 ADORA2A (0.45) HSD17B10ADORA2AADRA2AHTTALDH1A1
SCHEMBL7575609 0.77 IMPDH2 (0.53) HSD17B10ADORA2AHTTALDH1A1PTPN1
SCHEMBL4450143 0.77 TSHR (0.59) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL16984847 0.76 ALDH1A1 (0.47) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL16122430 0.76 ALDH1A1 (0.46) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL9943824 0.76 GRIA4 (0.50) HSD17B10ADORA2AADRA2AHTTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 HSD17B10 2289/4885ADORA2A 3581/4885ADRA2A 1650/4885

“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.