SCHEMBL4125546

SCHEMBL4125546

O=C(CCl)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.63
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
PLA2G4B P0C869 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL7770801 0.89 MAPT (0.55) ALOX15KMT2ANPC1RAB9APLA2G4B
SCHEMBL3898377 0.87 ALOX15 (0.74) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL15396047 0.83 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL4643662 0.82 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL8729465 0.82 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL9362459 0.82 MAPT (0.55) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL13472198 0.81 KMT2A (0.57) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL11956755 0.81 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL8701735 0.81 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL11732430 0.80 POLB (0.51) KMT2AMEN1ALPLSMN1; SMN2ALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
US-6924397-B2 Process for the preparation of α-chloroketones from alkyl esters BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-02 US disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20050090670-A1 PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
EP-0411705-A1 Imidazole compounds and their use as transglutaminase inhibitors MERCK & CO. INC. (US) 1991-02-06 EP disclosed
US-4361514-A Carbon analogs of penicillin MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1982-11-30 US disclosed
US-4325967-A Cyclopentane derivatives MAY & BAKER LIMITED (GB) 1982-04-20 US disclosed
US-4282149-A Carbon and oxygen analogs of penicillin MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 US disclosed
US-4183870-A Cyclopentane derivatives MAY & BAKER LIMITED (GB) 1980-01-15 US disclosed
US-4150223-A ANTIBIOTICS MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4143046-A CARBON AND OXYGEN ANALOGS OF PENICILLIN MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1979-03-06 US disclosed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 US 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 (4 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-20050090670-A1 PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS KHK, BCKDK, STS ALOX15 1712/4885KMT2A 1099/4885MEN1 3018/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALOX15 122/4885KMT2A 4216/4885MEN1 4611/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALOX15 118/4885KMT2A 4382/4885MEN1 4793/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALOX15 122/4885KMT2A 4216/4885MEN1 4611/4885

“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.