SCHEMBL2605984

SCHEMBL2605984

Cc1ccc(C(=O)c2cc(C(=O)c3ccc(C)cc3)cc(C3(c4cc(C(=O)c5ccc(C)cc5)cc(C(=O)c5ccc(C)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ SRD5A2 P31213 1/20 0.43
▸ PDK2 Q15119 2/20 0.43
▸ AKR1C3 P42330 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KIF11 P52732 1/20 0.39

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
SCHEMBL12864215 0.89 ESR1 (0.46) ALDH1A1LMNAESR1ESR2PDK2
SCHEMBL1167840 0.87 TDP1 (0.52) ALDH1A1LMNAESR1ESR2SRD5A2
SCHEMBL2605969 0.87 ALDH1A1 (0.43) ALDH1A1LMNAESR1ESR2SRD5A2
SCHEMBL12864217 0.85 POLB (0.47) LMNAESR1ESR2PDK2CNR1
SCHEMBL2605975 0.85 PDK2 (0.46) ALDH1A1LMNAESR1ESR2PDK2
SCHEMBL12864302 0.85 PDK2 (0.46) ALDH1A1LMNAESR1ESR2SRD5A2
SCHEMBL12864216 0.84 SRD5A2 (0.47) ALDH1A1LMNAESR1ESR2SRD5A2
SCHEMBL4402334 0.83 PDK2 (0.54) ALDH1A1LMNASRD5A2PDK2AKR1C3
SCHEMBL13663839 0.81 SRD5A2 (0.46) ALDH1A1LMNAESR1ESR2SRD5A2
SCHEMBL13252913 0.81 SRD5A2 (0.46) ALDH1A1LMNAESR1ESR2SRD5A2

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 7 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
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP 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
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 ALDH1A1 2171/4885LMNA 2309/4885ESR1 36/4885

“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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