SCHEMBL1803281

SCHEMBL1803281

CCC(C)(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
GAA P10253 4/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
ALPG P10696 1/20 0.45
ALOX12 P18054 1/20 0.45
NPY1R P25929 1/20 0.45
HTT P42858 1/20 0.45
NPY2R P49146 1/20 0.45
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL29000297 0.89 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL28209291 0.86 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL9950707 0.85 ALDH1A1 (0.59) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL1802805 0.82 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL9949805 0.82 ALDH1A1 (0.59) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL1802889 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL1800378 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL4319820 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL1802655 0.76 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL1802538 0.74 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMAPK1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933246-B2 Process for preparing 1-phenylpyrazoles BASF SE (DE) 2015-01-13 US disclosed
EP-2473485-B1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2014-04-23 EP disclosed
US-8492558-B2 Method for producing 2-aminobiphenylene BASF SE (DE) 2013-07-23 US disclosed
US-8461390-B2 Method for producing substituted biphenyls BASF SE (DE) 2013-06-11 US disclosed
US-20130131352-A1 Process for Preparing 1-phenylpyrazoles BASF SE (DE) 2013-05-23 US disclosed
US-8362271-B2 Process for preparing 1-phenylpyrazoles BASF SE (DE) 2013-01-29 US disclosed
US-20120165544-A1 Process for Preparing 1-Phenylpyrazoles BASF SE (DE) 2012-06-28 US disclosed
US-20110301356-A1 Method for Producing 2-aminobiphenylene BASF SE (DE) 2011-12-08 US disclosed
US-20110105766-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2011-05-05 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 (4 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-20110301356-A1 Method for Producing 2-aminobiphenylene C5, CBR3, C1S ALDH1A1 1545/4885MAPT 4066/4885HPGD 2006/4885
US-20130131352-A1 Process for Preparing 1-phenylpyrazoles CBR1, CBR3, CYP1A1 ALDH1A1 431/4885MAPT 4574/4885HPGD 1183/4885
US-20110105766-A1 Method for Producing Substituted Biphenyls C5, CTRB1, CFB ALDH1A1 2105/4885MAPT 4795/4885HPGD 2952/4885
US-20120165544-A1 Process for Preparing 1-Phenylpyrazoles AP3B1, AP3M1, AP3D1 ALDH1A1 333/4885MAPT 4636/4885HPGD 1758/4885

“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.