SCHEMBL23927631

SCHEMBL23927631

Cc1cc(CCO)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
ACMSD Q8TDX5 1/20 0.46
PPARA Q07869 2/20 0.45
RXRA P19793 2/20 0.45
HMGB1 P09429 1/20 0.44
CXCL12 P48061 1/20 0.44
LCK P06239 1/20 0.43
RXRB P28702 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
CYP4F2 P78329 4/20 0.42
CYP4A11 Q02928 4/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL10476041 0.85 RARB (0.59) RARBNR1H4PPARARXRAHMGB1
SCHEMBL7455122 0.85 LCK (0.47) RARBACMSDPPARAHMGB1CXCL12
SCHEMBL1627397 0.85 NR1H4 (0.51) RARBNR1H4ACMSDRXRAHMGB1
SCHEMBL16899346 0.84 FFAR4 (0.54) RARBNR1H4
SCHEMBL5551094 0.84 SIRT1 (0.46) RARBKDM4EALDH1A1ALOX5GAA
SCHEMBL31568856 0.84 RARB (0.50) RARBNR1H4PPARARXRAHMGB1
SCHEMBL14312369 0.84 RARB (0.54) RARBNR1H4PPARARXRALCK
SCHEMBL5097471 0.84 RARB (0.50) RARBNR1H4PPARARXRAHMGB1
SCHEMBL15549294 0.84 RARB (0.50) RARBNR1H4PPARARXRAHMGB1
SCHEMBL1020426 0.84 RARB (0.50) RARBNR1H4PPARARXRAHMGB1

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 2066/4885ACMSD 2108/4885

“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.