SCHEMBL17655975

SCHEMBL17655975

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc9ccccc89)n7)cc6)ccc45)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSD17B1 P14061 1/20 0.47

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
SCHEMBL27455831 0.98 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL23633620 0.97 ALDH1A1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL25816357 0.96 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL17754449 0.95 ALDH1A1 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL25668531 0.95 ALDH1A1 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL18965465 0.95 ALDH1A1 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL25798792 0.94 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL24306943 0.94 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL23633541 0.94 HSD17B1 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL16716611 0.94 HSD17B1 (0.51) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 — — US disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 — — US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 — — US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 — — US disclosed
EP-3002282-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-04-06 — — EP 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-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 CA12 4267/4885CA1 4520/4885CA2 4198/4885

“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.

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