SCHEMBL6487486

SCHEMBL6487486

O=C(O)C(Cc1ccccc1)OC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.48
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
PPARG P37231 14/20 0.43
PPARA Q07869 11/20 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
SCHEMBL13311342 1.00 SRR (0.48) SRRITGB1ITGA4PPARGPPARA
Cyclohexylamine SCHEMBL8637515 0.93 SRR (0.45) SRRITGB1ITGA4PPARGPPARA
SCHEMBL3881607 0.87 SLC6A3 (0.51) ITGB1ITGA4
SCHEMBL1933178 0.84 MEN1 (0.47) SRRPPARGPPARA
SCHEMBL7299495 0.81 SRR (0.57) SRRPPARGPPARA
SCHEMBL7299501 0.81 SRR (0.57) SRRPPARGPPARA
SCHEMBL13311344 0.81 CYP1A2 (0.42) ITGB1ITGA4
SCHEMBL7050550 0.80 SIGMAR1 (0.39) ITGB1ITGA4
SCHEMBL11770475 0.80 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL3889010 0.80 ITGB1 (0.40) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof BOHM HANS-JOACHIM (DE) 2003-01-02 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6455671-B1 COMPOUND FOR USE IN THE TREATMENT OF THROMBOSIS ABBOTT LABORATORIES 2002-09-24 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 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 (2 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-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, SERPINC1, F2 SRR 470/4885ITGB1 392/4885ITGA4 1424/4885
US-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 SRR 203/4885ITGB1 366/4885ITGA4 2064/4885

“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.