SCHEMBL6092886

SCHEMBL6092886

CCOC(=O)C1(C(=O)O)CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ATM Q13315 1/20 0.42
CYP2C19 P33261 5/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2C9 P11712 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
OPRM1 P35372 5/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1577155 0.92 ATM (0.45) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1
SCHEMBL11720220 0.82 ATM (0.43) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1
Ethane SCHEMBL908993 0.79 AKR1C1 (0.32) CYP2C19ALDH1A1POLBOPRM1OPRK1
SCHEMBL5873442 0.78 AKR1C1 (0.34) CYP2C19TSHRNPSR1
SCHEMBL16391277 0.77 CYP2C19 (0.40) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1
SCHEMBL875700 0.77 CYP2C19 (0.40) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1
SCHEMBL13009913 0.75 CYP2C19 (0.41) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1
SCHEMBL7722193 0.75 ALDH1A1 (0.39) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1
SCHEMBL4554424 0.75 CYP2C19 (0.41) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1
SCHEMBL7928918 0.75 CYP2C19 (0.39) SMN1; SMN2ATMCYP2C19CYP3A4ALDH1A1

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-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 SMN1; SMN2 4810/4885ATM 2466/4885CYP2C19 84/4885

“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.