SCHEMBL3863643

SCHEMBL3863643

CCOC(=O)CC(CO)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.55
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.50
F10 P00742 4/20 0.49
MMP8 P22894 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MDM4 O15151 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
PRSS1 P07477 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
SCHEMBL232194 0.91 F2 (0.59) F2ALDH1A1TSHRF10MMP8
SCHEMBL30040482 0.88 F2 (0.56) F2ALDH1A1TSHRF10MMP8
SCHEMBL4405154 0.88 F2 (0.56) F2ALDH1A1TSHRF10MMP8
SCHEMBL7141857 0.87 F2 (0.55) F2ALDH1A1TSHRF10MMP8
SCHEMBL28642234 0.87 F2 (0.55) F2ALDH1A1TSHRF10MMP8
SCHEMBL5319563 0.85 GABBR2 (0.62) F2ALDH1A1TSHRF10MMP8
SCHEMBL2719599 0.85 F2 (0.61) F2ALDH1A1TSHRF10MMP8
SCHEMBL17869298 0.85 F2 (0.54) F2ALDH1A1TSHRF10MMP8
Hydrochloric Acid SCHEMBL987303 0.84 GABBR2 (0.60) F2ALDH1A1TSHRF10MMP8
SCHEMBL31555289 0.84 F2 (0.56) F2ALDH1A1TSHRF10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662942-B2 Oligonucleotide probes containing two labels useful in hybridization assays Elitech Holdings, B.V. (NL) 2010-02-16 US disclosed
US-7541448-B2 Oligonucleotides containing molecular rods ROCHE DIAGNOSTIS OPERATIONS, INC. (US) 2009-06-02 US disclosed
US-20050142598-A1 Oligonucleotides containing molecular rods ROCHE DIAGNOSTICS OPERATIONS, INC. 2005-06-30 US disclosed
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 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-20050142598-A1 Oligonucleotides containing molecular rods TUBB6, TUFM, TUBB3 F2 4875/4885ALDH1A1 2164/4885TSHR 2225/4885

“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.