SCHEMBL798355

SCHEMBL798355

Cc1ccccc1C=C[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
FBP1 P09467 5/20 0.53
TLR4 O00206 2/20 0.53
TLR2 O60603 2/20 0.53
PRMT1 Q99873 1/20 0.51
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 5/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 2/20 0.49
S1PR4 O95977 2/20 0.49
S1PR1 P21453 2/20 0.49
MAPK1 P28482 2/20 0.49
TLR9 Q9NR96 2/20 0.49
NPC1 O15118 1/20 0.49
ITGA4 P13612 1/20 0.49
TSHR P16473 1/20 0.48
NTSR1 P30989 2/20 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
SCHEMBL798354 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL7313258 0.85 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL28594822 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL5733864 0.78 HSP90AA1 (0.60) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL5733870 0.78 HSP90AA1 (0.60) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL13930333 0.78 RXRA (0.59) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL11077530 0.77 FBP1 (0.56) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL11077527 0.77 FBP1 (0.56) RXRAFBP1PRMT1ALDH1A1MAPT
SCHEMBL9357447 0.76 RXRA (0.58) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL470811 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2PRMT1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4319015-A USED AS SEPARATORS IN ION EXCHANGE RESIN FILTERS BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US claimed
CN-111217707-B Preparation method of beta-trans-nitroolefin 西北师范大学 2022-09-16 CN disclosed
CN-113509959-A Preparation method of hollow mesoporous nano silicon spheres for packaging chiral catalyst, product and application thereof 重庆邮电大学 2021-10-19 CN disclosed
US-10908162-B2 Methods related to volatile compounds in genitourinary cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-02 US disclosed
CN-111217707-A preparation method of β -trans-nitroolefin 西北师范大学 2020-06-02 CN disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-20190128890-A1 METHODS RELATED TO VOLATILE COMPOUNDS IN GENITOURINARY CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-02 US disclosed
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-6329369-B1 ANALGESICS FOR TREATING GLAUCOMA OR ELEVATED PRESSURE AND OTHER DISEASES WITH REDUCED SIDE EFFECTS BY TREATING A MAMMAL IN NEED THEREOF AN AGONIST OF ALPHA 2B OR ALPHA 2B/2C ADRENERGIC RECEPTOR ALLERGAN SALES, INC. 2001-12-11 US disclosed
EP-1104407-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan Sales, Inc. (US) 2001-06-06 EP disclosed
CN-1284066-A Substituted imidazole derivatives having agonist-like activity at alpha 2B or 2B/2C adrenergic receptors ALLERGEN SALES INC (US) 2001-02-14 CN disclosed
WO-2001000586-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN SALES, INC. (US) 2001-01-04 WO disclosed
EP-1036065-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan Sales, Inc. (US) 2000-09-20 EP disclosed
WO-1999028300-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN SALES, INC. (US) 1999-06-10 WO disclosed
EP-0010265-B1 SYNTHETIC RESINS BASED ON CROSSLINKED COPOLYMERS OF MONO- AND POLYVINYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INERT MATERIAL IN ION EXCHANGE MIXED-BED FILTERS BAYER AG (DE) 1982-04-14 EP disclosed
US-4319015-A USED AS SEPARATORS IN ION EXCHANGE RESIN FILTERS BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0010265-A2 Synthetic resins based on crosslinked copolymers of mono- and polyvinyl compounds, process for their preparation and their use as inert material in ion exchange mixed-bed filters BAYER AG (DE) 1980-04-30 EP disclosed
US-3931220-A FUNGICIDE, BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 RXRA 4236/4885FBP1 364/4885TLR4 2258/4885

“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.