SCHEMBL14817239

SCHEMBL14817239

O=Cc1ccc2cc(OCCF)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 4/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APP P05067 4/20 0.40
FDPS P14324 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
AGXT P21549 1/20 0.38

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 1.00 CA12 (0.50) CA12CA1CA9MAPTRAB9A
SCHEMBL2308601 0.92 LMNA (0.45) CA12CA1CA9MAPTRAB9A
SCHEMBL11683637 0.86 CA1 (0.50) CA12CA1CA9MAPTRAB9A
SCHEMBL1982944 0.83 ALDH1A1 (0.58) MAPTRAB9AALDH1A1HPGDLMNA
SCHEMBL9908262 0.83 ALDH1A1 (0.58) MAPTRAB9AALDH1A1HPGDLMNA
SCHEMBL10458381 0.83 CA12 (0.59) CA12CA1CA9MAPTRAB9A
SCHEMBL7273053 0.83 ALDH1A1 (0.54) CA12CA1CA9MAPTALDH1A1
SCHEMBL29935640 0.82 APP (0.40) CA12CA1CA9MAPTRAB9A
SCHEMBL15650212 0.81 FDPS (0.50) MAPTRAB9AALDH1A1HPGDLMNA
SCHEMBL29935870 0.81 MAOA (0.58) CA12CA1CA9RAB9AALDH1A1

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
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
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-2013049174-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-A]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 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-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 CA12 321/4885CA1 472/4885CA9 266/4885

“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.