SCHEMBL20095129

SCHEMBL20095129

OC[C@H](Nc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.54
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
JAK3 P52333 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
RIPK1 Q13546 1/20 0.45
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK13 O15264 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL27783713 1.00 MAPKAPK2 (0.54) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL430689 1.00 MAPKAPK2 (0.54) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29741303 0.87 TEAD4 (0.47) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29741345 0.87 MAPT (0.52) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27805310 0.87 KMT2A (0.49) MAPKAPK2JAK3IRAK4MAPTEGFR
SCHEMBL29741354 0.87 TEAD4 (0.47) MAPKAPK2JAK3IRAK4LMNAKDM4E
SCHEMBL431571 0.87 NPBWR1 (0.54) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28786965 0.87 KMT2A (0.49) MAPKAPK2JAK3IRAK4MAPTEGFR
SCHEMBL27805313 0.87 KMT2A (0.49) MAPKAPK2JAK3IRAK4MAPTEGFR
SCHEMBL5501697 0.83 PRKACA (0.47) MAPKAPK2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114836486-B Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2023-05-12 CN disclosed
CN-114836486-A Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2022-08-02 CN disclosed
US-10882870-B2 Crystalline metal organic framework FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2021-01-05 US disclosed
EP-3529252-B1 A CRYSTALLINE METAL ORGANIC FRAMEWORK FUNDACIO INSTITUT CATALA DINVESTIGACIO QUIM ICIQ (ES) 2020-12-09 EP disclosed
US-20190256528-A1 A CRYSTALLINE METAL ORGANIC FRAMEWORK INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS (ES) 2019-08-22 US disclosed
WO-2018073400-A1 A CRYSTALLINE METAL ORGANIC FRAMEWORK FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2018-04-26 WO 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 (2 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-20190256528-A1 A CRYSTALLINE METAL ORGANIC FRAMEWORK HNRNPF, POF1B, RTRAF MAPKAPK2 4259/4885CYP1A2 1565/4885CYP3A4 1496/4885
US-10882870-B2 Crystalline metal organic framework POF1B, HNRNPF, RTRAF MAPKAPK2 4208/4885CYP1A2 1666/4885CYP3A4 1660/4885

“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.