SCHEMBL222905

SCHEMBL222905

CCCCOc1cc(C(=O)OC)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
AR P10275 1/20 0.57
PELP1 Q8IZL8 1/20 0.57
LMNA P02545 3/20 0.50
VCAM1 P19320 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 1/20 0.47
PRSS1 P07477 1/20 0.47
USP10 Q14694 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6870341 0.95 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1ARPELP1
SCHEMBL11949145 0.93 AR (0.58) AKR1C3AKR1C2AKR1C1ARPELP1
SCHEMBL8169431 0.90 AR (0.60) AKR1C3AKR1C2AKR1C1ARPELP1
SCHEMBL17512386 0.90 THRA (0.60) AKR1C3AKR1C2AKR1C1LMNAVCAM1
SCHEMBL4747285 0.89 AR (0.54) AKR1C3AKR1C2AKR1C1ARPELP1
SCHEMBL28158589 0.88 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1LMNAPOLB
SCHEMBL8887657 0.88 AR (0.58) AKR1C3AKR1C2AKR1C1ARPELP1
SCHEMBL1346767 0.88 AR (0.61) AKR1C3AKR1C2AKR1C1ARPELP1
SCHEMBL221362 0.88 AR (0.61) AKR1C3AKR1C2AKR1C1ARPELP1
SCHEMBL7354751 0.87 AR (0.55) AKR1C3AKR1C2AKR1C1ARPELP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185419-B Synthetic method of oxybuprocaine hydrochloride 扬州中宝药业股份有限公司 2022-09-02 CN disclosed
CN-113185419-A Synthetic method of oxybuprocaine hydrochloride 扬州中宝药业股份有限公司 2021-07-30 CN disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
CN-102741257-A Spiroindolinone pyrrolidines HOFFMANN LA ROCHE 2012-10-17 CN disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 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-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X AKR1C3 447/4885AKR1C2 400/4885AKR1C1 168/4885

“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.