SCHEMBL15329461

SCHEMBL15329461

CC(C)c1cc(C(C)C)c(C#Cc2ccccc2)c(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.44
▸ GRM5 P41594 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ FABP3 P05413 2/20 0.40
▸ FABP4 P15090 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ FABP5 Q01469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ GRM4 Q14833 1/20 0.34

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
SCHEMBL5929499 0.82 APP (0.50) APPGRM5HTR2AMAPTFFAR1
SCHEMBL19455956 0.76 APP (0.57) APPGRM5HTR2AMAPTFFAR1
SCHEMBL28282150 0.71 NPC1 (0.50) APPGRM5HTR2AMAPTFFAR1
SCHEMBL2450399 0.70 APP (0.80) APPGRM5MAPTFFAR1KCNH2
SCHEMBL3796509 0.70 APP (0.80) APPGRM5MAPTFFAR1KCNH2
SCHEMBL30083107 0.69 TDP1 (0.36) FABP3FABP4GABRA1GABRB2FABP5
SCHEMBL18488464 0.69 APP (0.43) APPGRM5HTR2AMAPTFFAR1
SCHEMBL12378776 0.68 FFAR1 (0.53) APPGRM5HTR2AMAPTFFAR1
SCHEMBL2727228 0.68 ROCK2 (0.49) MAPTFABP3FABP4HSP90AA1GABRA1
SCHEMBL3808490 0.68 TYR (0.49) APPGRM5HTR2AMAPTFFAR1

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
US-9101920-B2 Palladium catalyst, method for its preparation and its use H4SEP KFT (HU) 2015-08-11 — — US disclosed
CN-103402949-B A new palladium catalyst, method for its preparation and its use H4SEP KFT 2015-07-01 — — CN disclosed
US-9056314-B2 Palladium catalyst, method for its preparation and its use H4SEP KFT (HU) 2015-06-16 — — US disclosed
US-20140012004-A1 NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE H4SEP KFT (HU) 2014-01-09 — — US disclosed
CN-103402949-A A new palladium catalyst, method for its preparation and its use H4SEP KFT 2013-11-20 — — CN disclosed
US-20130281700-A1 PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE CHINOIN GYOGYSZER-ES VEGYESZETI TER-MEKEK GYARA ZRT (HU) 2013-10-24 — — 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 (2 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-20130281700-A1 PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE PDS5A, DDT, PDS5B APP 3207/4885GRM5 580/4885HTR2A 4438/4885
US-20140012004-A1 NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE DDT, PDS5A, PDS5B APP 3446/4885GRM5 763/4885HTR2A 4424/4885

“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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