SCHEMBL19986174

SCHEMBL19986174

Cc1cc(-c2ccccc2)c2ncccc2n1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 10/20 0.71
PRMT5 O14744 1/20 0.46
CYP1A2 P05177 1/20 0.44
DHODH Q02127 1/20 0.42
NCF1 P14598 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 1/20 0.40

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
SCHEMBL19986179 0.97 TOP1 (0.67) TOP1PRMT5CYP1A2DHODHNCF1
SCHEMBL19986177 0.91 TOP1 (0.59) TOP1PRMT5CYP1A2MAPTPDE4A
SCHEMBL18020161 0.83 TOP1 (1.00) TOP1DHODHHSD17B10
SCHEMBL19844332 0.81 TOP1 (0.82) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL18538846 0.78 TOP1 (0.46) TOP1CYP1A2KDM4EALDH1A1HPGD
SCHEMBL8284604 0.77 PRMT5 (0.68) TOP1PRMT5CYP1A2NCF1KDM4E
SCHEMBL1104820 0.77 CYP1A2 (0.62) CYP1A2NCF1KDM4EALDH1A1HPGD
SCHEMBL21511856 0.76 CCR1 (0.51) TOP1KDM4EALDH1A1HPGDHSD17B10
Iodide SCHEMBL30847747 0.75 CYP1A2 (0.60) CYP1A2NCF1KDM4EALDH1A1HPGD
SCHEMBL7440672 0.75 CCR1 (0.57) TOP1KDM4EALDH1A1CCR1CCR8

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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-29 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., 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 (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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device OXER1, OCIAD1, OR10J3 TOP1 3587/4885PRMT5 4628/4885CYP1A2 357/4885
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 TOP1 3587/4885PRMT5 4628/4885CYP1A2 357/4885

“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.