SCHEMBL25484191

SCHEMBL25484191

C[C@H](O)COc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
ALDH1A1 P00352 5/20 0.58
HPGD P15428 2/20 0.58
MMP2 P08253 3/20 0.55
MMP3 P08254 1/20 0.55
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAOB P27338 1/20 0.46
AGER Q15109 1/20 0.46
KDM1A O60341 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCB11 O95342 1/20 0.44
KCNH2 Q12809 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL30102507 1.00 LMNA (0.60) LMNAALDH1A1HPGDMMP2MMP3
SCHEMBL29113764 1.00 LMNA (0.60) LMNAALDH1A1HPGDMMP2MMP3
SCHEMBL10708127 0.95 ALDH1A1 (0.66) LMNAALDH1A1HPGDMMP2MMP3
SCHEMBL5949941 0.85 LMNA (0.78) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL868642 0.84 MMP2 (0.54) LMNAALDH1A1HPGDMMP2MMP3
SCHEMBL6110358 0.84 ALDH1A1 (0.66) LMNAALDH1A1HPGDMMP2MMP3
Cyanate SCHEMBL27852686 0.83 MMP2 (0.54) LMNAALDH1A1HPGDMMP2MMP3
SCHEMBL10420085 0.81 ALDH1A1 (0.63) LMNAALDH1A1HPGDMMP2MMP3
SCHEMBL10701283 0.81 ALDH1A1 (0.54) ALDH1A1HPGDMMP2MMP3MAPT
SCHEMBL16450860 0.81 ALDH1A1 (0.63) LMNAALDH1A1HPGDMMP2MMP3

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-20230295149-A1 MONOBACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-09-21 US disclosed
US-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-05-18 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 (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-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS LBR, MRPL21, MRPL19 LMNA 197/4885ALDH1A1 3531/4885HPGD 2557/4885
US-20230295149-A1 MONOBACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS MRPL21, MRPL19, MRPL12 LMNA 3230/4885ALDH1A1 3395/4885HPGD 1856/4885

“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.