SCHEMBL5227019

SCHEMBL5227019

Cc1cccc(COc2c[c]ccc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CD274 Q9NZQ7 11/20 0.38
MAOB P27338 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ACHE P22303 1/20 0.35
HTR6 P50406 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL919794 0.87 MAOB (0.49) FFAR1CCNB2CDK1CDK4CCNB1
SCHEMBL1136292 0.82 SLC22A12 (0.43) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL11419601 0.82 MAOB (0.43) FFAR1CCNB2CDK1CDK4CCNB1
SCHEMBL920242 0.75 IDO1 (0.49) KMT2A
SCHEMBL5227562 0.75 IDO1 (0.49) MAOBKMT2A
SCHEMBL9034998 0.75 NPC1 (0.54) FFAR1KMT2A
SCHEMBL28822452 0.75 MAOB (0.42) MAOB
SCHEMBL919574 0.74 NR4A2 (0.49) MAOBKMT2A
SCHEMBL920290 0.74 MAOB (0.51) MAOB
SCHEMBL27426931 0.73 ESR1 (0.54) FFAR1MAOBESR1ESR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1407667-B1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS BIOTECH CORP (JP) 2007-09-26 EP disclosed
EP-1464642-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS BIOTECH CORP (JP) 2007-08-29 EP disclosed
US-7192906-B2 Substituted pyrazole derivatives, production process thereof, and herbicide compositions containing the derivatives SDS BIOTECH K.K. (JP) 2007-03-20 US disclosed
EP-0945437-B1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS BIOTECH CORP (JP) 2006-11-02 EP disclosed
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same SDS BIOTECH K.K. (JP) 2005-01-20 US disclosed
US-6809065-B2 ON ALGAE OR WEEDS; CROP SELECTIVITY SDS BIOTECH K.K. (JP) 2004-10-26 US disclosed
EP-1464642-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS Biotech K.K. (JP) 2004-10-06 EP disclosed
EP-1407667-A1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS Biotech K.K. (JP) 2004-04-14 EP disclosed
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient SDS BIOTECH K.K. (JP) 2004-02-19 US disclosed
EP-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 EP 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-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same HPD, HDHD5, CYP2E1 FFAR1 2888/4885CCNB2 1694/4885CDK1 2377/4885
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 FFAR1 2106/4885CCNB2 859/4885CDK1 499/4885

“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.