SCHEMBL10028244

SCHEMBL10028244

Oc1ccc2cc(-c3cccc4ccccc34)ccc2c1-c1c(O)ccc2cc(-c3cccc4ccccc34)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.57
▸ ACMSD Q8TDX5 1/20 0.57
▸ HSD17B1 P14061 11/20 0.55
▸ HSD17B2 P37059 11/20 0.55
▸ CYP1A2 P05177 4/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ CYP2D6 P10635 4/20 0.55
▸ CYP2C9 P11712 4/20 0.55
▸ CYP2B6 P20813 4/20 0.55
▸ CYP2C19 P33261 4/20 0.55
▸ TLR8 Q9NR97 1/20 0.54
▸ ESR1 P03372 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ ALOX5 P09917 1/20 0.51
▸ ERN1 O75460 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ OPRM1 P35372 1/20 0.46

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
SCHEMBL29587524 0.90 MCL1 (0.60) MCL1ACMSDHSD17B1HSD17B2CYP1A2
SCHEMBL18704004 0.90 MCL1 (0.60) MCL1ACMSDHSD17B1HSD17B2CYP1A2
SCHEMBL14417220 0.85 HSD17B1 (0.61) MCL1ACMSDHSD17B1HSD17B2CYP1A2
SCHEMBL57494 0.84 ALDH1A1 (0.54) MCL1ACMSDCYP1A2TLR8HDAC8
SCHEMBL28336706 0.83 HPRT1 (0.56) MCL1ACMSDCYP1A2TLR8HDAC8
SCHEMBL31707297 0.83 ESR1 (0.68) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL7990719 0.82 MCL1 (0.51) MCL1ACMSDHSD17B1HSD17B2TLR8
SCHEMBL28114491 0.81 MCL1 (0.46) MCL1ACMSDHSD17B1HSD17B2CYP1A2
SCHEMBL28350260 0.81 APP (0.67) MCL1ACMSDCYP1A2TLR8ALOX5
SCHEMBL29744510 0.81 APP (0.67) MCL1ACMSDCYP1A2TLR8ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046915-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-02 — — EP disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 — — US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 — — US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 — — US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 — — US disclosed
WO-2008011964-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-31 — — 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 MCL1 4030/4885ACMSD 1730/4885HSD17B1 3184/4885

“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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