SCHEMBL1001019

SCHEMBL1001019

COc1ccc(COCCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
IDO1 P14902 3/20 0.53
AGXT P21549 2/20 0.53
APP P05067 7/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
MAOB P27338 1/20 0.46
CALM1 P0DP23 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CMA1 P23946 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LTA4H P09960 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL22704320 0.96 APP (0.53) TDP1L3MBTL1IDO1AGXTAPP
SCHEMBL8499580 0.87 IDO1 (0.61) TDP1L3MBTL1IDO1AGXTAPP
SCHEMBL6496291 0.85 L3MBTL1 (0.65) TDP1L3MBTL1IDO1AGXTAPP
SCHEMBL9671825 0.85 TSHR (0.43) TDP1L3MBTL1IDO1AGXTLTA4H
SCHEMBL2624069 0.83 IDO1 (0.57) TDP1L3MBTL1IDO1AGXTAPP
SCHEMBL34413 0.83 IDO1 (0.67) TDP1L3MBTL1IDO1AGXTAPP
SCHEMBL17230489 0.82 TDP1 (0.56) TDP1L3MBTL1IDO1AGXTAPP
SCHEMBL12462062 0.82 TDP1 (0.56) TDP1L3MBTL1IDO1AGXTAPP
Potassium SCHEMBL1477050 0.81 IDO1 (0.64) TDP1L3MBTL1IDO1AGXTAPP
Hydrochloric Acid SCHEMBL28912134 0.81 IDO1 (0.68) TDP1L3MBTL1IDO1AGXTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007396-B1 Enfumafungin derivatives as antifungal agents MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
US-7863465-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2011-01-04 US disclosed
EP-2007396-A1 ANTIFUNGAL AGENTS Merck and Co., Inc. (US) 2008-12-31 EP disclosed
US-20080009504-A1 Antifungal agents SCYNEXIS, INC. 2008-01-10 US disclosed
WO-2007127012-A1 ANTIFUNGAL AGENTS MERCK & CO., INC. (US) 2007-11-08 WO disclosed
US-4970238-A Adrenergic blocking agents, cardiovascular disorders Louis, John William (AU) 1990-11-13 US disclosed
US-4816604-A CARDIOVASCULAR DISORDERS Louis, William J. (AU) 1989-03-28 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 (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-20080009504-A1 Antifungal agents DPM1, MAN2B1, MAN2A1 TDP1 1006/4885L3MBTL1 3320/4885IDO1 431/4885

“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.