SCHEMBL3586115

SCHEMBL3586115

O=C(O)CC1=CCCc2c(F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.40
PTGDR Q13258 1/20 0.40
SRD5A1 P18405 1/20 0.35
PTGDR2 Q9Y5Y4 6/20 0.35
CXCL8 P10145 2/20 0.35
PPARG P37231 1/20 0.35
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL11081265 0.76 SRD5A1 (0.35) PTGIRPTGDRSRD5A1
SCHEMBL7401882 0.74 SIGMAR1 (0.45) SRD5A1NOTUMKDM4E
SCHEMBL13074756 0.72 AKR1C3 (0.39) SRD5A1NOTUM
SCHEMBL11083951 0.69 ALDH1A1 (0.49) PTGDR2KDM4E
SCHEMBL5211828 0.69 PTGIR (0.44) PTGIRPTGDR
SCHEMBL21823159 0.68 SRD5A1 (0.38) SRD5A1NOTUM
SCHEMBL5211156 0.68 CA12 (0.42) PPARG
SCHEMBL5212129 0.66 PTGIR (0.42) PTGIRPTGDRSMN1; SMN2
SCHEMBL3451418 0.66 AKR1B1 (0.56)
SCHEMBL14460080 0.65 GSTP1 (0.42) KDM4ESMN1; SMN2

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-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 PTGIR 1125/4885PTGDR 1527/4885SRD5A1 365/4885

“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.