SCHEMBL13298555

SCHEMBL13298555

c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.35
▸ HSD17B2 P37059 3/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ SOS1 Q07889 2/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL13298549 1.00 HSD17B1 (0.35) HSD17B1HSD17B2PIM1ALDH1A1MAPT
SCHEMBL13298591 0.95 PIM1 (0.35) HSD17B1HSD17B2PIM1ALDH1A1MAPT
SCHEMBL13298584 0.95 PIM1 (0.35) HSD17B1HSD17B2PIM1ALDH1A1MAPT
SCHEMBL13298516 0.94 PIM1 (0.36) HSD17B1HSD17B2PIM1ALDH1A1MAPT
SCHEMBL13298541 0.94 MCL1 (0.38) HSD17B1HSD17B2PIM1ALDH1A1MAPT
SCHEMBL13298511 0.94 PIM1 (0.36) HSD17B1HSD17B2PIM1ALDH1A1MAPT
SCHEMBL13298546 0.94 MCL1 (0.38) HSD17B1HSD17B2PIM1ALDH1A1MAPT
SCHEMBL13298539 0.93 CA12 (0.36) ALDH1A1MAPTCA12CA1CA2
SCHEMBL13298533 0.93 CA12 (0.36) ALDH1A1MAPTCA12CA1CA2
SCHEMBL13298552 0.93 HSD17B1 (0.41) HSD17B1HSD17B2ALDH1A1GPR84CYP1A2

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-20100133996-A1 Novel anthracene typed compound and the organic electroluminescence display device using the same DONGJIN SEMICHEM CO., LTD (KR) 2010-06-03 — — 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-20100133996-A1 Novel anthracene typed compound and the organic electroluminescence display device using the same TRPA1, TRPM2, TRPM4 HSD17B1 2150/4885HSD17B2 1943/4885PIM1 3565/4885

“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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