SCHEMBL6165003

SCHEMBL6165003

CCOC(=O)c1c[nH]cc1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
HTT P42858 2/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ESR1 P03372 1/20 0.43
CA7 P43166 1/20 0.43
ESR2 Q92731 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
SCHEMBL6162557 0.83 SMN1; SMN2 (0.62) PDE3BPDE3AMAPTLMNARAB9A
SCHEMBL6163307 0.80 SMN1; SMN2 (0.47) PDE3BPDE3AMAPTLMNARAB9A
SCHEMBL4532434 0.77 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11291961 0.76 CA1 (0.61) HTTLOXL2MAPTLMNARAB9A
SCHEMBL4046233 0.76 TSHR (0.53) MAPTLMNANPC1ALDH1A1CA12
SCHEMBL4444431 0.75 CA1 (0.70) HTTMAPTLMNARAB9ANPC1
SCHEMBL10537396 0.75 CA1 (0.70) HTTMAPTLMNARAB9ANPC1
Diethyl Phthalate SCHEMBL21811188 0.75 TSHR (0.75) HTTMAPTLMNARAB9ANPC1
SCHEMBL10765170 0.75 CYP4A11 (0.62) HTTLOXL2MAPTLMNARAB9A
SCHEMBL2656768 0.74 GABRA1 (0.58) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1

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-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI AR 2202/4885HTT 2814/4885PDE3B 211/4885

“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.