SCHEMBL2308601

SCHEMBL2308601

O=Cc1ccc2cc(OCCCF)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APP P05067 10/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 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
SCHEMBL14883546 0.92 CA12 (0.50) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL14817239 0.92 CA12 (0.50) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7273053 0.85 ALDH1A1 (0.54) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2936686 0.84 ALDH1A1 (0.61) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8630858 0.82 ALDH1A1 (0.51) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2533902 0.81 MAOA (0.57) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL31139224 0.81 MAOA (0.57) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11683637 0.81 CA1 (0.50) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24390595 0.81 ALDH1A1 (0.50) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4750053 0.81 PLA2G4A (0.51) LMNAALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 WO claimed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
EP-2349351-A2 IMAGING AND RADIOTHERAPY METHODS GE Healthcare Limited (GB) 2011-08-03 EP disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 WO disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 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 (2 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-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 LMNA 3727/4885ALDH1A1 3/4885MAPT 2862/4885
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 LMNA 3727/4885ALDH1A1 3/4885MAPT 2862/4885

“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.