SCHEMBL4910068

SCHEMBL4910068

CCOC(=O)c1ccc(N2CCOCC2=O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.47
HTR7 P34969 2/20 0.47
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
F10 P00742 9/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MITF O75030 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1479610 0.84 MYC (0.49) HTR7F10HSD17B10MEN1KMT2A
SCHEMBL4200577 0.83 ALDH1A1 (0.57) ALDH1A1F10SMN1; SMN2RAB9APOLB
SCHEMBL1675822 0.83 F10 (0.48) HTR7ALDH1A1KDM4EF10POLB
SCHEMBL5212604 0.83 F10 (0.48) F10
SCHEMBL4907363 0.82 F10 (0.50) HTR7F10POLB
SCHEMBL17202719 0.81 ALOX5 (0.53) PIK3CAALDH1A1F10SMN1; SMN2POLB
SCHEMBL1479237 0.77 SRD5A1 (0.49) HTR7SRD5A1SRD5A2ALDH1A1KDM4E
SCHEMBL8306468 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EF10RAB9AHSD17B10
SCHEMBL1377046 0.75 F10 (0.60) F10
SCHEMBL77090 0.75 MAPT (0.47) ALDH1A1KDM4EF10SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 PIK3CA 3796/4885HTR7 2178/4885SRD5A1 446/4885

“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.