SCHEMBL4359409

SCHEMBL4359409

CCCCOCCOC(Cl)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL4360079 0.87 ADRB2 (0.36) TSHRCYP3A4SMN1; SMN2ADRB2ADRB1
SCHEMBL4365454 0.84 TSHR (0.39) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL4361042 0.82 TSHR (0.40) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL4359817 0.80 DNM1 (0.43) MEN1THRBHTTKMT2ASPHK1
SCHEMBL4356816 0.80 ALDH1A1 (0.35) TSHR
SCHEMBL28243245 0.80 TSHR (0.46) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL23040692 0.78 TSHR (0.44) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL4362678 0.78 DNM1 (0.47) TSHRMAPTMEN1THRBHTT
SCHEMBL4361809 0.78 DNM1 (0.47) TSHRMAPTMEN1THRBHTT
SCHEMBL4359813 0.78 DNM1 (0.47) TSHRMAPTMEN1THRBHTT

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 TSHR 1810/4885CYP3A4 129/4885MAPT 4814/4885

“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.