SCHEMBL6372113

SCHEMBL6372113

COc1ccc(OC)c(C(CO)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.54
ADRA2A P08913 2/20 0.54
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
CYP2D6 P10635 2/20 0.49
AKR1C1 Q04828 1/20 0.49
PTGS1 P23219 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6372116 1.00 ADRA1A (0.54) ADRA1AADRA2AHSD17B10LMNACYP1A2
SCHEMBL6372120 1.00 ADRA1A (0.54) ADRA1AADRA2AHSD17B10LMNACYP1A2
SCHEMBL5368219 0.86 ADRA1A (0.65) ADRA1AADRA2AHSD17B10LMNACYP1A2
SCHEMBL7604678 0.84 AKR1C2 (0.49) ADRA1AADRA2AHSD17B10CYP1A2TSHR
SCHEMBL7604681 0.84 AKR1C2 (0.49) ADRA1AADRA2AHSD17B10CYP1A2TSHR
SCHEMBL7604674 0.84 AKR1C2 (0.49) ADRA1AADRA2AHSD17B10CYP1A2TSHR
SCHEMBL7354012 0.84 ADRA1A (0.50) ADRA1AADRA2AHSD17B10LMNACYP1A2
SCHEMBL7354017 0.84 ADRA1A (0.50) ADRA1AADRA2AHSD17B10LMNACYP1A2
SCHEMBL24977468 0.80 POLB (0.53) LMNACYP1A2PTGS1KMT2AHTT
SCHEMBL27436626 0.80 POLB (0.53) LMNACYP1A2PTGS1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838478-B2 Amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2005-01-04 US disclosed
EP-0910573-B1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-14 US disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 US disclosed
EP-0910573-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-04-28 EP disclosed
WO-1997046577-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-12-11 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-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors F2, SERPINC1, FGB ADRA1A 2845/4885ADRA2A 3665/4885HSD17B10 2356/4885

“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.