SCHEMBL14937229

SCHEMBL14937229

Cc1ccccc1COC(=O)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.47
GRIN2B Q13224 1/20 0.45
MAOB P27338 1/20 0.45
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 4/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL14936915 0.81 HPGD (0.62) ALDH1A1HPGDMAOBKDM4EMEN1
SCHEMBL6669050 0.81 KDM4E (0.52) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL6671064 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL27813060 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDKDM4EAPOBEC3A
SCHEMBL8211971 0.78 MAOB (0.53) ALDH1A1SMN1; SMN2HPGDGRIN2BMAOB
SCHEMBL6668853 0.78 MAOB (0.53) ALDH1A1SMN1; SMN2HPGDGRIN2BMAOB
SCHEMBL27990368 0.78 EPHX1 (0.53)
SCHEMBL11349211 0.78 EPHX1 (0.59) ALDH1A1SMN1; SMN2HPGDKDM4EAPOBEC3A
SCHEMBL3849886 0.77 ALDH1A1 (0.54) ALDH1A1HPGDMAOBKDM4EMEN1
SCHEMBL21895653 0.77 HPGD (0.44) ALDH1A1SMN1; SMN2HPGDGRIN2BMAPK1

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-8822724-B2 Method for producing carboxylic acid amide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-02 US disclosed
EP-2599769-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE Sumitomo Chemical Company Limited (JP) 2013-06-05 EP disclosed
US-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED 2013-05-16 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-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE HCAR2, NAAA, FAAH2 ALDH1A1 161/4885SMN1; SMN2 2769/4885HPGD 743/4885

“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.