SCHEMBL223553

SCHEMBL223553

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
AKR1C2 P52895 1/20 0.67
AKR1C1 Q04828 1/20 0.67
PLA2G4B P0C869 2/20 0.61
HCAR3 P49019 4/20 0.55
MYC P01106 1/20 0.55
MAX P61244 1/20 0.55
CASP6 P55212 1/20 0.54
TSHR P16473 2/20 0.54
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
TP53 P04637 1/20 0.52
PRSS1 P07477 1/20 0.52

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
SCHEMBL7833539 0.96 PLA2G4B (0.63) AKR1C3AKR1C2AKR1C1PLA2G4BHCAR3
SCHEMBL3574447 0.93 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PLA2G4BHCAR3
SCHEMBL7824920 0.89 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1PLA2G4BHCAR3
SCHEMBL1749792 0.89 PLA2G4B (0.74) AKR1C3AKR1C2AKR1C1PLA2G4BHCAR3
SCHEMBL22660921 0.88 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1PLA2G4BTHRA
SCHEMBL3537490 0.87 MAPT (0.62) AKR1C3AKR1C2AKR1C1HCAR3MYC
SCHEMBL222905 0.86 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1PLA2G4BTHRA
SCHEMBL27403163 0.86 PLA2G4B (0.74) PLA2G4BHCAR3THRATHRBPRSS1
Hydrochloric Acid SCHEMBL3729179 0.86 MAPT (0.60) AKR1C3AKR1C2AKR1C1HCAR3MYC
SCHEMBL28158589 0.85 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1TSHRTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106810463-A Preparation method of oxybuprocaine hydrochloride 沈阳绿洲制药有限责任公司 2017-06-09 CN claimed
CN-119735519-A Method for improving clarity and color of solution in oxybuprocaine hydrochloride 辰欣药业股份有限公司 2025-04-01 CN disclosed
CN-106810463-A Preparation method of oxybuprocaine hydrochloride 沈阳绿洲制药有限责任公司 2017-06-09 CN disclosed
CN-106810463-A Preparation method of oxybuprocaine hydrochloride 沈阳绿洲制药有限责任公司 2017-06-09 CN disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
CN-102741257-B Spiroindolinone pyrrolidines HOFFMANN LA ROCHE 2015-03-04 CN 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
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 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.