SCHEMBL4292017

SCHEMBL4292017

CCC(O[C]=O)c1cccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TDP2 O95551 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NFE2L2 Q16236 2/20 0.36
ALOX5 P09917 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL734007 0.78 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL11565879 0.74 L3MBTL1 (0.45) MAPTHTR2AHTR2CHTR2BACHE
SCHEMBL2422880 0.73 ADRA2A (0.33) ALDH1A1MAPTSMN1; SMN2GAAADRA2B
SCHEMBL22620577 0.72 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11808683 0.72 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2DRD2ADRA2B
SCHEMBL12714862 0.72 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9572756 0.72 AOC3 (0.47) ALDH1A1KDM4EHPGDKMT2AAOC3
SCHEMBL11112463 0.71 CASP1 (0.40) ALDH1A1MAPTGAAAOC3
SCHEMBL9207729 0.71 TSHR (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL9008385 0.71 AOC3 (0.49) ALDH1A1MAPTSMN1; SMN2AOC3CA1

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-4601852-A Process for the preparation of human or the derivatives thereof from pig insulin or the derivatives thereof HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-22 US claimed
US-8410048-B2 Method for producing insulin analogs having a dibasic B chain terminus SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-04-02 US disclosed
US-20090192073-A1 METHOD FOR PRODUCING INSULIN ANALOGS HAVING A DIBASIC B CHAIN TERMINUS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-30 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-20090192073-A1 METHOD FOR PRODUCING INSULIN ANALOGS HAVING A DIBASIC B CHAIN TERMINUS IAPP, IDE, INSR ALDH1A1 3890/4885MAPT 4651/4885SMN1; SMN2 4107/4885

“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.