SCHEMBL5531918

SCHEMBL5531918

O=C(c1ccccc1)c1ccccc1[AsH2]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.61
GAA P10253 2/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 4/20 0.56
ATM Q13315 3/20 0.48
CDC25B P30305 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A2 P31213 1/20 0.48
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TLR9 Q9NR96 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.47
NR4A1 P22736 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5574916 0.85 ALDH1A1 (0.46) AKR1C3GAAMAPTALDH1A1CDC25B
SCHEMBL21063721 0.85 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL4781877 0.84 LTA4H (0.46) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL700595 0.83 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL29447165 0.83 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL28883310 0.80 AKR1C3 (0.81) AKR1C3GAAMAPTALDH1A1ATM
Fluoride SCHEMBL28319246 0.80 AKR1C3 (0.81) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL8022367 0.79 CES2 (0.53) MAPTATMTDP1L3MBTL1PKM
SCHEMBL5375736 0.78 ALDH1A1 (0.65) AKR1C3MAPTALDH1A1ATMCDC25B
SCHEMBL29163962 0.78 AKR1C3 (0.77) AKR1C3GAAMAPTALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20050129631-A1 Cosmetic and dermatological light protection formulations with a content of hydroxybenzophenones and alkylnaphthalates BEIERSDORF AG (DE) 2005-06-16 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 (2 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-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB AKR1C3 1731/4885GAA 2051/4885MAPT 676/4885
US-20050129631-A1 Cosmetic and dermatological light protection formulations with a content of hydroxybenzophenones and alkylnaphthalates TYR, AHR, CYP1B1 AKR1C3 44/4885GAA 1384/4885MAPT 2768/4885

“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.