SCHEMBL3131809

SCHEMBL3131809

[CH]=CC(=O)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.59
KEAP1 Q14145 1/20 0.59
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
FFAR1 O14842 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HDAC1 Q13547 5/20 0.55
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
HDAC3 O15379 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL2322246 0.81 KEAP1 (0.61) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL27263564 0.79 GPR52 (0.59) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL24264804 0.79 GPR52 (0.59) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL4424144 0.79 GPR52 (0.59) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL1409146 0.79 GPR52 (0.54) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL14571875 0.78 GPR52 (0.58) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL28945946 0.78 GPR52 (0.58) GPR52KEAP1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL27720366 0.78 GPR52 (0.58) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL13879584 0.78 GPR52 (0.68) GPR52KEAP1HDAC2HDAC8HDAC6
SCHEMBL18189088 0.76 GPR52 (0.66) GPR52KEAP1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642370-B2 Method for preparing prostaglandin derivative DAIICHI FINE CHEMICAL CO., LTD. (JP) 2010-01-05 US disclosed
EP-1886992-A1 Method for preparing prostaglandin derivative Daiichi Fine Chemical Co., Ltd. (JP) 2008-02-13 EP disclosed
US-20080033176-A1 METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-02-07 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-20080033176-A1 METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE PTGIS, PTGS1, PTGER1 GPR52 1272/4885KEAP1 2150/4885HDAC2 2925/4885

“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.