SCHEMBL16905616

SCHEMBL16905616

c1ccc2c(c1)oc1c(-c3ccncc3)nc(-n3c4ccccc4c4ccccc43)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ LMNA P02545 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 6/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 4/20 0.37
▸ MAPT P10636 8/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAD51 Q06609 1/20 0.35

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
SCHEMBL16905618 0.91 TSHR (0.44) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL21736016 0.83 MAPT (0.40) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL19679641 0.83 MAPT (0.39) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL19246954 0.82 KDM4E (0.40) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL19246888 0.82 KDM4E (0.39) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL20670155 0.82 MAPT (0.38) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL19246887 0.82 TSHR (0.38) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL19246994 0.82 TSHR (0.38) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL18273237 0.81 MAPT (0.47) ALDH1A1KDM4ELMNAKMT2AHSD17B10
SCHEMBL19679645 0.81 TSHR (0.37) ALDH1A1KDM4ELMNAKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160351826-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2016-12-01 — — US disclosed
WO-2015105315-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 — — WO 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-20160351826-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ALDH1A1 1905/4885KDM4E 3527/4885LMNA 1491/4885

“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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