SCHEMBL6578320

SCHEMBL6578320

COC(=O)C1(O)CCOc2ccc(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 3/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 6/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
MTNR1A P48039 1/20 0.39
APP P05067 2/20 0.39
BACE1 P56817 2/20 0.39

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
SCHEMBL6580916 0.88 RAB9A (0.43) SMN1; SMN2NPC1RAB9APKMTP53
SCHEMBL5734820 0.86 KMT2A (0.43) SMN1; SMN2NPC1RAB9APKMTP53
SCHEMBL7177095 0.84 AKR1B1 (0.55) NPC1RAB9AMAPTRARARARB
SCHEMBL20480649 0.73 NPC1 (0.40) SMN1; SMN2NPC1RAB9APKMTP53
SCHEMBL8793923 0.73 AKR1B1 (0.46) SMN1; SMN2NPC1RAB9APKMTP53
SCHEMBL21294282 0.71 AKR1B1 (0.41) SMN1; SMN2MAPTAPPBACE1LMNA
SCHEMBL9230477 0.70 APP (0.41) SMN1; SMN2MEN1KMT2ACTNNB1WNT3A
SCHEMBL11444836 0.70 MAP3K14 (0.41) SMN1; SMN2MAPTMEN1KMT2AAPP
SCHEMBL5736873 0.69 HTT (0.40) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL7366006 0.69 POLA1 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
US-6576657-B2 Nitrogen containing heterocyclic compounds useful as anticoagulants ASTRAZENECA AB (SE) 2003-06-10 US disclosed
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-21 US disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 EP disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 SMN1; SMN2 4453/4885NPC1 2989/4885RAB9A 708/4885

“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.