SCHEMBL12864216

SCHEMBL12864216

CC(C)(C)c1ccc(C(=O)c2cc(C(=O)c3ccc(C(C)(C)C)cc3)cc(C3(c4cc(C(=O)c5ccc(C(C)(C)C)cc5)cc(C(=O)c5ccc(C(C)(C)C)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ PDK2 Q15119 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ TP53 P04637 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
SCHEMBL2606070 0.93 SRD5A2 (0.41) SRD5A2SIRT1PDK2CNR1CNR2
SCHEMBL12864228 0.90 ESR1 (0.40) SRD5A2SIRT1PDK2RAB9ANPC1
SCHEMBL1552805 0.84 PDK2 (0.53) SRD5A2SIRT1PDK2CNR1CNR2
SCHEMBL1553113 0.84 PDK2 (0.53) SRD5A2SIRT1PDK2CNR1CNR2
SCHEMBL2605984 0.84 ALDH1A1 (0.48) SRD5A2PDK2CNR1CNR2RAB9A
SCHEMBL1167840 0.84 TDP1 (0.52) SRD5A2PDK2CNR1CNR2RAB9A
SCHEMBL12864302 0.81 PDK2 (0.46) SRD5A2PDK2RAB9ASMN1; SMN2MEN1
SCHEMBL2605975 0.81 PDK2 (0.46) PDK2NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12864215 0.80 ESR1 (0.46) PDK2SMN1; SMN2MEN1POLBKMT2A
SCHEMBL12879928 0.80 CYP26A1 (0.35) SRD5A2PDK2RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 SRD5A2 3585/4885SIRT1 2762/4885PDK2 2382/4885

“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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