SCHEMBL515204

SCHEMBL515204

Cc1cc(OCc2ccccc2)cc(C)c1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAOB P27338 5/20 0.55
MAOA P21397 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
GRM5 P41594 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47

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
SCHEMBL20607732 0.91 MEN1 (0.51) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL13377762 0.84 NPC1 (0.58) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL26047483 0.82 HDAC8 (0.50) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL955846 0.82 MAOB (0.54) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL20607722 0.82 NPC1 (0.44) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL28202092 0.81 MAOA (0.47) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL27395440 0.81 S1PR1 (0.50) RAB9AMEN1KMT2AALOX5HPGD
SCHEMBL20607936 0.81 DGAT1 (0.44) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL1745424 0.81 MAOB (0.53) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL30663841 0.81 MAOB (0.56) NPC1RAB9AMEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029579-B1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2014-12-31 EP disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 US disclosed
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 US disclosed
US-8748620-B2 2014-06-10 US disclosed
US-8748620-B2 2014-06-10 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004041275-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP 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-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR NPC1 300/4885RAB9A 2319/4885MEN1 623/4885

“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.