SCHEMBL4357708

SCHEMBL4357708

CCCCC(CC)COC(Cl)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 8/20 0.41
RECQL P46063 1/20 0.39
CA2 P00918 3/20 0.37
LMNA P02545 3/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4356290 0.87 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL3919066 0.84 CYP3A4 (0.49) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4367467 0.83 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL2818214 0.78 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9192554 0.78 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL12242147 0.76 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL8217857 0.76 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL6683323 0.75 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL5892149 0.75 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL17780067 0.75 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM

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-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20060177763-A1 Method for producing compound having acid-labile group KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1661918-A1 METHOD FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP Kyowa Hakko Chemical Co., Ltd. (JP) 2006-05-31 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-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP AGL, HACL2, ARL1 CYP3A4 129/4885L3MBTL1 1982/4885TSHR 1810/4885

“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.