SCHEMBL6366353

SCHEMBL6366353

COc1cc(CC(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
APP P05067 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
PKM P14618 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGER4 P35408 1/20 0.55
PTGER2 P43116 1/20 0.55
RXRA P19793 1/20 0.55
ATM Q13315 1/20 0.53

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
SCHEMBL6281909 0.93 CYP1A2 (0.64) NPC1HPGDALDH1A1MAPK1L3MBTL1
SCHEMBL9724394 0.92 APP (0.62) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL9774160 0.92 ALDH1A1 (0.65) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL29066085 0.90 MTNR1A (0.62) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL31011346 0.87 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL1114985 0.87 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL27562508 0.87 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL5208237 0.87 APP (0.69) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL9416619 0.87 APP (0.56) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL10731769 0.86 MTNR1A (0.64) NPC1RAB9AHPGDSMN1; SMN2MTNR1A

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 8 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
CN-1129604-C Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2003-12-03 CN 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
CN-1226895-A Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 1999-08-25 CN 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 NPC1 4343/4885RAB9A 905/4885HPGD 2067/4885

“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.