SCHEMBL21076080

SCHEMBL21076080

CCn1c2ccc(C#N)cc2c2cc(C#N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.52
PTGER4 P35408 3/20 0.51
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
HBB P68871 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2A6 P11509 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
SLC6A4 P31645 1/20 0.43
ACSS2 Q9NR19 1/20 0.42

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
SCHEMBL5892136 0.92 PTGER4 (0.63) RORCPTGER4KDM4EHPGDALDH1A1
SCHEMBL29643208 0.92 PTGER4 (0.63) RORCPTGER4KDM4EHPGDALDH1A1
SCHEMBL7973614 0.90 KDM4E (0.62) RORCPTGER4KDM4EHPGDALDH1A1
SCHEMBL13908804 0.89 RORC (0.45) RORCPTGER4KDM4EHPGDALDH1A1
SCHEMBL26166871 0.87 RORC (0.56) RORCPTGER4KDM4EALDH1A1MAPT
SCHEMBL28267835 0.85 HPGD (0.52) RORCPTGER4KDM4EHPGDALDH1A1
SCHEMBL21076085 0.85 PTGER4 (0.48) RORCPTGER4CYP2A6ACSS2
SCHEMBL7977243 0.84 MAPT (0.67) RORCMAPTMEN1KMT2A
SCHEMBL97588 0.83 PTGER4 (0.54) RORCPTGER4
SCHEMBL11752123 0.82 DRD2 (0.50) RORCPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11916198-B2 Fast-charging lithium ion batteries with electrolytes that do not react on the anodes StoreDot Ltd. (IL) 2024-02-27 US disclosed
US-20230284516-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-07 US disclosed
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
US-20220396596-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-12-15 US disclosed
US-20210203002-A1 FAST-CHARGING LITHIUM ION BATTERIES WITH ELECTROLYTES THAT DO NOT REACT ON THE ANODES StoreDot Ltd. (IL) 2021-07-01 US disclosed
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 US disclosed
US-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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 (5 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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA RORC 639/4885PTGER4 1478/4885KDM4E 4374/4885
US-20220396596-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, DRD3 RORC 494/4885PTGER4 1061/4885KDM4E 3611/4885
US-20230284516-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, LBR, C1R RORC 666/4885PTGER4 548/4885KDM4E 4589/4885
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 RORC 863/4885PTGER4 1328/4885KDM4E 4409/4885
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRM1, OPRD1, OXER1 RORC 525/4885PTGER4 1742/4885KDM4E 3356/4885

“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.