SCHEMBL19153545

SCHEMBL19153545

CC1(C)c2ccccc2-c2ccc(-c3ccc4ccccc4c3O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ PDK2 Q15119 11/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ MCL1 Q07820 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19152597 0.86 ALOX5 (0.44) PDK2PTPN22MCL1ACMSDMEN1
SCHEMBL19153264 0.85 PDK2 (0.41) HDAC4HDAC2HDAC8PDK2PTPN22
SCHEMBL28283699 0.84 HPRT1 (0.41) PDK2MCL1ACMSDKDM4EMEN1
SCHEMBL19336431 0.84 ALDH1A1 (0.41) PDK2HSD17B10
SCHEMBL2965134 0.83 PDK2 (0.44) PDK2SLC6A2SLC6A4
SCHEMBL19153303 0.82 HDAC4 (0.38) HDAC4HDAC2HDAC8PDK2PTPN22
SCHEMBL20405120 0.82 PDK2 (0.39) PDK2MCL1ACMSDKDM4EMEN1
SCHEMBL23558624 0.82 DNMT1 (0.36) PDK2MEN1MAPTRAB9AKMT2A
SCHEMBL27050244 0.81 PDK2 (0.34) HDAC4HDAC2HDAC8PDK2MCL1
SCHEMBL5552172 0.81 ALOX5 (0.46) PDK2GAA

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-20170204129-A1 NOVEL TRANSITION METAL COMPOUND, TRANSITION METAL CATALYST COMPOSITION FOR POLYMERIZING OLEFIN, CONTAINING SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN BY USING SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2017-07-20 — — 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-20170204129-A1 NOVEL TRANSITION METAL COMPOUND, TRANSITION METAL CATALYST COMPOSITION FOR POLYMERIZING OLEFIN, CONTAINING SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN BY USING SAME ETFA, ETFB, EMC2 HDAC4 4467/4885HDAC2 4598/4885HDAC8 4535/4885

“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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