SCHEMBL5227023

SCHEMBL5227023

CC(C)(Oc1c[c]ccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CA4 P22748 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL9331411 0.80 MAPK1 (0.61) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL11419604 0.79 MAPK1 (0.50) MAPK1ALDH1A1ALOX15TAAR1
SCHEMBL65341 0.79 KIF11 (0.33)
SCHEMBL5227566 0.79 TSHR (0.35)
SCHEMBL27695263 0.77 KIF11 (0.33)
SCHEMBL19286607 0.77 MAPK1 (0.56) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL9332606 0.76 MAPK1 (0.61) MAPK1ALDH1A1ALOX15TAAR1
SCHEMBL27276092 0.76 KIF11 (0.32)
SCHEMBL17134180 0.76
SCHEMBL28046395 0.73 GPR3 (0.33) ALDH1A1ALOX15

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 MAPK1 2008/4885ALDH1A1 296/4885ALOX15 2260/4885
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 MAPK1 1167/4885ALDH1A1 365/4885ALOX15 2617/4885

“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.