SCHEMBL13010455

SCHEMBL13010455

O=P1(O)C(c2ccccc2)CCC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 1/20 0.34
KDM1A O60341 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 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
SCHEMBL1886493 1.00 AKR1C3 (0.38) AKR1C3AKR1C1GAAALDH1A1SLC18A3
SCHEMBL12639524 1.00 AKR1C3 (0.38) AKR1C3AKR1C1GAAALDH1A1SLC18A3
SCHEMBL1878836 1.00 AKR1C3 (0.38) AKR1C3AKR1C1GAAALDH1A1SLC18A3
SCHEMBL12639641 0.77 SLC18A3 (0.35) AKR1C3AKR1C1GAASLC18A3SIGMAR1
SCHEMBL30918597 0.77 SLC18A3 (0.35) AKR1C3AKR1C1GAASLC18A3SIGMAR1
SCHEMBL13010462 0.77 SRD5A1 (0.39) AKR1C3AKR1C1GAASLC18A3SIGMAR1
SCHEMBL13010456 0.77 KDM1A (0.39) AKR1C3AKR1C1GAAALDH1A1SLC18A3
SCHEMBL12672475 0.77 ALDH1A1 (0.37) AKR1C3AKR1C1GAAALDH1A1SLC18A3
SCHEMBL24488134 0.72 MAP1LC3B (0.35) ALDH1A1SIGMAR1KDM4E
SCHEMBL20228466 0.72 HTR2C (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
US-20100317866-A1 IMIDAZOLE GROUP-CONTAINING PHOSPHORUS COMPOUNDS BASF SE (DE) 2010-12-16 US disclosed
US-20100317866-A1 IMIDAZOLE GROUP-CONTAINING PHOSPHORUS COMPOUNDS BASF SE (DE) 2010-12-16 US disclosed
WO-2009101162-A1 IMIDAZOLE GROUP-CONTAINING PHOSPHORUS COMPOUNDS BASF SE (DE) 2009-08-20 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-20100317866-A1 IMIDAZOLE GROUP-CONTAINING PHOSPHORUS COMPOUNDS ITPA, PPIP5K2, IPMK AKR1C3 3698/4885AKR1C1 4046/4885GAA 2368/4885

“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.