SCHEMBL3076112

SCHEMBL3076112

Cc1cc(=O)oc2ccc(OCCCCl)cc12

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.72
KDM4E B2RXH2 9/20 0.72
HPGD P15428 6/20 0.72
GAA P10253 1/20 0.65
HSD17B10 Q99714 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PKM P14618 1/20 0.64
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
STS P08842 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.52

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
SCHEMBL12475243 0.86 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL7116035 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL26195616 0.83 MAOB (0.68) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL7504934 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL6665079 0.80 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDGAAHSD17B10
Hydrochloric Acid SCHEMBL8177838 0.79 L3MBTL1 (0.62) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL7115071 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL10063475 0.78 MAOB (0.74) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL29821752 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL17439465 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAAHSD17B10

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-2825261-A1 POLYPEPTIDES AND THEIR USE Novabiotics Limited (GB) 2015-01-21 EP disclosed
US-20140155321-A1 Polypeptides and Their Use NOVABIOTICS LIMITED (GB) 2014-06-05 US disclosed
WO-2013136040-A1 POLYPEPTIDES AND THEIR USE NOVABIOTICS LIMITED (GB) 2013-09-19 WO disclosed
US-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY NOVABIOTICS LIMITED (GB) 2010-10-21 US disclosed
CN-101501015-A Use of coumarin derivatives in antifungal therapy NOVABIOTICS LTD (GB) 2009-08-05 CN disclosed
EP-2049511-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY Novabiotics Limited (GB) 2009-04-22 EP disclosed
WO-2007141513-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY NOVABIOTICS LIMITED (GB) 2007-12-13 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-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY DPM1, XPO5, NISCH ALDH1A1 1883/4885KDM4E 3277/4885HPGD 1317/4885

“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.