SCHEMBL1547590

SCHEMBL1547590

CC(C)Oc1ccc(C(=O)c2ccc(O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SRD5A2 P31213 1/20 0.42
NNMT P40261 2/20 0.41
ACACB O00763 6/20 0.41
MAPK1 P28482 1/20 0.41
ELANE P08246 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL841924 0.80 MAPT (0.62) MAPTHPGDALDH1A1NNMTACACB
SCHEMBL14480387 0.80 ACACB (0.48) MAPTALDH1A1NNMTACACBKMT2A
SCHEMBL370097 0.79 ALDH1A1 (0.49) ESR1ESR2ALDH1A1ACACBACACA
SCHEMBL30464201 0.79 NNMT (0.67) MAPTALDH1A1NNMTACACBSMN1; SMN2
SCHEMBL5013585 0.79 NNMT (0.67) MAPTALDH1A1NNMTACACBSMN1; SMN2
SCHEMBL27875916 0.79 ALDH1A1 (0.46) MAPTALDH1A1NNMTACACBKMT2A
SCHEMBL3590924 0.78 CA12 (0.51) MAPTHTTLMNACA12CA1
SCHEMBL5943354 0.76 KMT2A (0.63) MAPTHTTLMNAESR1ESR2
SCHEMBL18101731 0.74 MAPT (0.46) MAPTALDH1A1NNMTACACBACACA
SCHEMBL14480202 0.73 ALDH1A1 (0.47) MAPTALDH1A1NNMTACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
EP-2310372-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-04-20 EP disclosed
WO-2010003624-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF CS, CYP11B1, GPR119 MAPT 4465/4885HTT 936/4885LMNA 705/4885

“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.