SCHEMBL14124657

SCHEMBL14124657

O=C1C=C(c2ccccc2Br)CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2A6 P11509 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
GALR1 P47211 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL29656653 0.78 ALDH1A1 (0.43) ALDH1A1CYP2A6MAOAMAOBPOLB
SCHEMBL11116210 0.78 PTPN1 (0.44) ALDH1A1CYP2A6MAOAMAOBPOLB
SCHEMBL31678641 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1CYP2A6MAOAMAOB
SCHEMBL3734647 0.78 ALDH1A1 (0.43) ALDH1A1CYP2A6MAOAMAOBPOLB
SCHEMBL29731873 0.75 ALDH1A1 (0.38) SMN1; SMN2HSD11B1ALDH1A1CYP2A6MAOA
SCHEMBL21733906 0.75 PTPN1 (0.44) GAASMN1; SMN2ALDH1A1POLBGALR1
SCHEMBL678904 0.75 L3MBTL1 (0.51) ALDH1A1GALR1MAPTPTPRC
SCHEMBL29533046 0.75 PTPN1 (0.44) GAASMN1; SMN2ALDH1A1POLBGALR1
SCHEMBL679561 0.74 NPC1 (0.47) ALDH1A1POLBMAPT
SCHEMBL23645701 0.73 MAPT (0.31) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022156761-A1 SPIROCYCLIC INDENES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-07-28 WO disclosed
EP-1582524-B1 Method of preparing organomagnesium compounds UNIV MUENCHEN L MAXIMILIANS (DE) 2008-08-13 EP disclosed
US-7387751-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-17 US disclosed
US-7387751-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-17 US disclosed
US-7384580-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-10 US disclosed
US-7384580-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-10 US disclosed
US-20070194468-A1 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2007-08-23 US disclosed
US-20070194468-A1 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2007-08-23 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-20070194468-A1 Method of preparing organomagnesium compounds SCLY, LIG3, LIG4 GAA 1692/4885SMN1; SMN2 4369/4885HSD11B1 552/4885

“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.