SCHEMBL3963420

SCHEMBL3963420

Cc1ccccc1P(O[C@@H]1CCCC[C@H]1OP(c1ccccc1C)c1ccccc1C)c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
P2RX7 Q99572 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL5168607 0.72 CYP3A4 (0.35) ALDH1A1SIGMAR1
SCHEMBL2912861 0.72 CYP3A4 (0.35) ALDH1A1SIGMAR1
SCHEMBL3185842 0.71 TSHR (0.36) HTR2CLMNANPC1RAB9ATSHR
SCHEMBL4450995 0.70 LMNA (0.33) HTR2CLMNATSHRACHESLC6A2
SCHEMBL301552 0.69 NPC1 (0.38) LMNANPC1RAB9ATSHRACHE
SCHEMBL4459830 0.69 TSHR (0.35) HTR2CTSHRACHESLC6A2SLC6A3
SCHEMBL3170606 0.69 TSHR (0.35) HTR2CLMNANPC1RAB9ATSHR
SCHEMBL7596880 0.69 NPC1 (0.38) HTR2CLMNANPC1RAB9ATSHR
SCHEMBL11056512 0.69 TSHR (0.43) LMNANPC1RAB9ATSHRACHE
SCHEMBL11029955 0.68 CYP3A4 (0.35) ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414783-B1 METHOD FOR THE PRODUCTION OF AMINES BY REDUCTIVE AMINATION OF CARBONYL COMPOUNDS UNDER TRANSFER-HYDROGENATION CONDITIONS EVONIK DEGUSSA GMBH (DE) 2009-07-15 EP disclosed
US-7230134-B2 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions DEGUSSA AG (DE) 2007-06-12 US disclosed
US-20040267051-A1 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions EVONIK DEGUSSA GMBH (DE) 2004-12-30 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-20040267051-A1 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions HNMT, AADAT, ADH5 HTR2C 1957/4885LMNA 2090/4885NPC1 2203/4885

“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.