SCHEMBL971017

SCHEMBL971017

O=C(Cl)CCC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
PREP P48147 4/20 0.43
CYP19A1 P11511 2/20 0.42
MAPT P10636 1/20 0.40
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
GRM7 Q14831 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ANPEP P15144 1/20 0.35

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
SCHEMBL7215962 0.82 IDO1 (0.47) IDO1PREPCYP19A1MAPT
SCHEMBL27817497 0.81 IDO1 (0.46) IDO1PREPCYP19A1MAPTMTNR1A
SCHEMBL7296734 0.80 PREP (0.43) IDO1PREPCYP19A1MAPTMTNR1A
SCHEMBL30931385 0.80 PREP (0.43) IDO1PREPCYP19A1MAPTMTNR1A
SCHEMBL28483979 0.78 PREP (0.44) IDO1PREPCYP19A1MAPTMTNR1A
SCHEMBL7220703 0.76 MAPT (0.46) IDO1PREPMAPTMTNR1AMTNR1B
SCHEMBL8291564 0.76 IDO1 (0.49) IDO1PREPCYP19A1MAPTMTNR1A
SCHEMBL16093787 0.75 ALDH1A1 (0.33) MAPT
SCHEMBL10531104 0.74 NOTUM (0.48) IDO1
SCHEMBL1338863 0.73 IDO1 (0.53) IDO1CYP19A1MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695955-B1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO (JP) 2011-10-12 EP disclosed
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 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 (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-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 IDO1 356/4885PREP 1135/4885CYP19A1 3643/4885

“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.