SCHEMBL4844995

SCHEMBL4844995

CCC(C)C1CCCCCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.45
EPHX1 P07099 3/20 0.36
TSHR P16473 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 2/20 0.31
EPHX2 P34913 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4843531 0.98 SHBG (0.41) SHBGEPHX1TSHRDPP4DPP7
SCHEMBL24920003 0.94 SHBG (0.39) SHBGEPHX1TSHRDPP4DPP7
SCHEMBL21245994 0.94 SHBG (0.39) SHBGEPHX1TSHRDPP4DPP7
SCHEMBL4843010 0.94 SHBG (0.39) SHBGEPHX1TSHRDPP4DPP7
SCHEMBL17198162 0.85 SHBG (0.52) SHBGDPP4DPP7LMNACYP2C9
SCHEMBL4843035 0.85 SHBG (0.52) SHBGDPP4DPP7LMNACYP2C9
SCHEMBL12424437 0.85 SHBG (0.52) SHBGDPP4DPP7LMNACYP2C9
SCHEMBL4845016 0.82 SHBG (0.54) SHBGEPHX1TSHRTP53
SCHEMBL4836191 0.81 SHBG (0.46) SHBGEPHX1TSHRDPP4DPP7
SCHEMBL1192741 0.80 SHBG (0.59) SHBGEPHX1TP53LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710223-B1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7332632-B2 Method for producing aldehyde compound or ketone compound by using microreactor Ubē Industries, Ltd. (JP) 2008-02-19 US disclosed
US-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor UBE INDUSTRIES, LTD., A CORPORATION OF JAPAN (JP) 2007-06-28 US disclosed
EP-1710223-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR Ube Industries, Ltd. (JP) 2006-10-11 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-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor ADH1C, ADH1A, ALDH1A1 SHBG 4583/4885EPHX1 593/4885TSHR 2363/4885

“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.