SCHEMBL2825537

SCHEMBL2825537

O=C(OCCc1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
AGTR1 P30556 1/20 0.62
HTT P42858 1/20 0.62
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RAB9A P51151 3/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 2/20 0.57
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
NPC1 O15118 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.51
ALOX5 P09917 1/20 0.51

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
SCHEMBL2825416 0.86 MAPT (0.69) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL9420544 0.86 KMT2A (0.60) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL2825738 0.85 ESR1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL8816044 0.85 ALOX5 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL27327003 0.84 L3MBTL1 (0.69) ALDH1A1KMT2AHPGDSMN1; SMN2RAB9A
SCHEMBL26343300 0.83 TP53 (0.58) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL11775003 0.82 CES2 (0.57) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL3391506 0.82 LMNA (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL2825130 0.82 MAPT (0.60) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL26343302 0.81 TP53 (0.55) ALDH1A1KMT2AMEN1AGTR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157159-B1 HYDRAULIC FLUID IDEMITSU KOSAN CO (JP) 2015-12-02 EP disclosed
EP-2674473-A2 Hydraulic fluid and hydraulic system IDEMITSU KOSAN CO., LTD. (JP) 2013-12-18 EP disclosed
US-8299004-B2 Hydraulic fluid and hydraulic system IDEMITSU KOSAN CO., LTD. (JP) 2012-10-30 US disclosed
US-20100130394-A1 HYDRAULIC FLUID AND HYDRAULIC SYSTEM IDEMITSU KOSAN CO., LTD (JP) 2010-05-27 US disclosed
EP-2157159-A1 HYDRAULIC FLUID AND HYDRAULIC SYSTEM Idemitsu Kosan Co., Ltd. (JP) 2010-02-24 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-20100130394-A1 HYDRAULIC FLUID AND HYDRAULIC SYSTEM AQP1, AQP3, TECR ALDH1A1 4415/4885KMT2A 3044/4885MEN1 1622/4885

“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.