SCHEMBL2820949

SCHEMBL2820949

CCCCCCCCCCCCCOC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.61
CACNA1F O60840 6/20 0.60
CACNA1D Q01668 6/20 0.60
CACNA1S Q13698 6/20 0.60
CACNA1C Q13936 6/20 0.60
KMT2A Q03164 3/20 0.55
TP53 P04637 1/20 0.54
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
XBP1 P17861 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CES2 O00748 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
SCHEMBL5710076 1.00 ESR1 (0.61) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2822090 1.00 ESR1 (0.61) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3389458 0.95 KMT2A (0.57) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3391506 0.89 LMNA (0.61) KMT2ATP53LMNAMEN1MAPT
SCHEMBL11527944 0.87 MEN1 (0.55) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3646790 0.86 TP53 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL9169504 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11700483 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9164746 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9678186 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C

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 ESR1 215/4885CACNA1F 3713/4885CACNA1D 4435/4885

“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.