SCHEMBL4262122

SCHEMBL4262122

O=C1OC(c2ccccc2)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.41
EDNRA P25101 1/20 0.39
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL10527275 0.78 RAB9A (0.44) SMN1; SMN2ALDH1A1CA2RAB9ASLC6A3
SCHEMBL576924 0.77 BRD4 (0.43) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL14427618 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL23914451 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL23914452 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL23913983 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL23913984 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL5442142 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL20429730 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL15968071 0.74 RET (0.42) SMN1; SMN2ALDH1A1CA2RAB9ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124787-A1 Method for Producing Polyhydroxyalkanoates BASF AKTIENGESELLSCHAFT (DE) 2009-05-14 US disclosed
EP-1874845-B1 METHOD FOR PRODUCING POLYHYDROXYALKANOATES BASF SE (DE) 2008-08-27 EP disclosed
EP-1874845-A2 METHOD FOR PRODUCING POLYHYDROXYALKANOATES BASF AKTIENGESELLSCHAFT (DE) 2008-01-09 EP disclosed
WO-2006108829-A2 METHOD FOR PRODUCING POLYHYDROXYALKANOATES BASF AKTIENGESELLSCHAFT (DE) 2006-10-19 WO disclosed
WO-2006058681-A2 METHOD FOR PRODUCING ENANTIOMER-ENRICHED LACTONES BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 WO 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-20090124787-A1 Method for Producing Polyhydroxyalkanoates LDHB, ACADM, HSD17B12 SMN1; SMN2 3378/4885ALDH1A1 415/4885CA2 2277/4885

“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.