SCHEMBL23927634

SCHEMBL23927634

Cc1cc(CCO[N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.43
NR1H4 Q96RI1 1/20 0.41
RXRA P19793 2/20 0.41
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL23927583 0.89 LCK (0.39) RXRAPPARAPPARGTSHRALDH1A1
SCHEMBL28087997 0.80 HDAC7 (0.43) PTGS1PTGS2
SCHEMBL23927597 0.79 TDP1 (0.47) RARBTSHRALDH1A1TDP1
SCHEMBL27926184 0.77 NR1H4 (0.46) RARBNR1H4RXRATSHRALDH1A1
SCHEMBL27688448 0.77 RARB (0.45) RARBNR1H4RXRAPPARAPPARG
SCHEMBL14966861 0.75 FFAR1 (0.50) RARBRXRAPPARGPDE4APDE4B
SCHEMBL23927631 0.75 RARB (0.51) RARBNR1H4RXRAPPARAPPARG
SCHEMBL10476041 0.75 RARB (0.59) RARBNR1H4RXRAPPARAPPARG
SCHEMBL8957443 0.74 TSHR (0.42) TSHRALDH1A1
SCHEMBL23927696 0.74 FOLH1 (0.50) PTGS1PTGS2CYP4F2CYP4A11

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
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 CN 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 RARB 3229/4885NR1H4 2066/4885RXRA 3492/4885

“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.