SCHEMBL23927554

SCHEMBL23927554

O=C(O)C1(Cc2ccccc2)CC(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
KDM1A O60341 7/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.36
GRM6 O15303 1/20 0.36
LMNA P02545 1/20 0.36
RCOR1 Q9UKL0 3/20 0.36

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
Hydrochloric Acid SCHEMBL28556134 0.86 TACR3 (0.41) MAOAMAOBKDM1AHSD11B1MEN1
SCHEMBL29214271 0.82 HSD11B1 (0.41) MAOAMAOBKDM1AHSD11B1MEN1
SCHEMBL923461 0.77 MAOA (0.48) MAOAMAOBHSD11B1SLC6A2SLC6A4
SCHEMBL22493574 0.74 GRM5 (0.41) HSD11B1MEN1KMT2AGRIN2BHPGD
SCHEMBL22493573 0.74 GRM5 (0.41) HSD11B1MEN1KMT2AGRIN2BHPGD
SCHEMBL22493575 0.74 GRM5 (0.41) HSD11B1MEN1KMT2AGRIN2BHPGD
SCHEMBL2573934 0.74 MAOA (0.41) MAOAMAOBHSD11B1SLC6A2SLC6A4
SCHEMBL3716772 0.74 MAOA (0.45) MAOAMAOBHSD11B1MEN1KMT2A
SCHEMBL13818225 0.74 LMNA (0.43) MAOAMAOBHSD11B1KMT2ASLC6A2
SCHEMBL5818358 0.74 AKR1C1 (0.47) MAOAMAOBMEN1KMT2ASLC6A2

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 2 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

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 MAOA 1465/4885MAOB 1306/4885KDM1A 872/4885

“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.