SCHEMBL25634230

SCHEMBL25634230

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)cc4)c4ccccc34)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.44
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SOS1 Q07889 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28762450 0.89 CA12 (0.40) DNMT1CA12CA1CA2CA9
SCHEMBL3925327 0.89 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL25634109 0.88 PIM1 (0.40) DNMT1CA12CA1CA2CA9
SCHEMBL29321981 0.87 DNMT1 (0.44) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25060814 0.87 CA12 (0.44) DNMT1CA12CA1CA2CA9
SCHEMBL29751906 0.87 CA12 (0.49) DNMT1CA12CA1CA2CA9
SCHEMBL16814673 0.87 CA12 (0.49) DNMT1CA12CA1CA2CA9
SCHEMBL19199345 0.86 HPRT1 (0.50) CA12CA1CA2CA9HDAC8
SCHEMBL24446252 0.85 CA12 (0.55) CA12CA1CA2CA9HDAC8
SCHEMBL2127807 0.83 ALDH1A1 (0.46) CA12CA1CA2CA9HDAC8

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-20230180596-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-06-08 — — 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-20230180596-A1 Novel Compound and Organic Light Emitting Device Comprising the Same CRY1, CRY2, CYBA DNMT1 1993/4885CA12 1274/4885CA1 2878/4885

“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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