SCHEMBL8804684

SCHEMBL8804684

OC(c1ccccc1)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
ACP3 P15309 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 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
SCHEMBL7666179 0.83 CYP1A2 (0.43) SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL11621991 0.78 ACP3 (0.38) ALDH1A1HTTACP3LMNATSHR
SCHEMBL477602 0.77 ACP3 (0.53) SMN1; SMN2ALDH1A1ACP3LMNATSHR
SCHEMBL477580 0.77 ACP3 (0.53) SMN1; SMN2ALDH1A1ACP3LMNATSHR
SCHEMBL29609159 0.77 ACP3 (0.53) SMN1; SMN2ALDH1A1ACP3LMNATSHR
SCHEMBL29105288 0.77 KCNQ2 (0.46) SMN1; SMN2ALDH1A1LMNATSHRHPGD
SCHEMBL477355 0.77 IDO1 (0.54) ALDH1A1ACP3LMNATSHRCACNA2D1
SCHEMBL4182232 0.77 LMNA (0.44) SMN1; SMN2ALDH1A1HTTLMNAHPGD
SCHEMBL5623441 0.76 TSHR (0.43) HTTACP3LMNATSHRCACNA2D1
SCHEMBL6578256 0.74 MEN1 (0.50) SMN1; SMN2LMNATSHRHPGDL3MBTL1

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
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
EP-0801048-A1 Process for producing benzhydrols K I CHEMICAL INDUSTRY CO., LTD. (JP) 1997-10-15 EP 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 SMN1; SMN2 4369/4885ALDH1A1 1914/4885HTT 3589/4885

“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.