SCHEMBL7340976

SCHEMBL7340976

C=CCO[C@H]1CN[C@H](C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ARG1 P05089 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL7340974 1.00 CYP1A2 (0.43) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL7864760 1.00 CYP1A2 (0.43) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL21132261 0.86 CYP2D6 (0.46) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL31439838 0.83 EPHX2 (0.36) KDM4EEPHX2
SCHEMBL7311712 0.83 EPHX2 (0.36) KDM4EEPHX2
SCHEMBL949192 0.83 EPHX2 (0.36) KDM4EEPHX2
Hydrochloric Acid SCHEMBL949191 0.81 EPHX2 (0.35) KDM4EEPHX2
Hydrochloric Acid SCHEMBL7316491 0.81 EPHX2 (0.35) KDM4EEPHX2
Hydrochloric Acid SCHEMBL949189 0.81 EPHX2 (0.35) KDM4EEPHX2
Hydrochloric Acid SCHEMBL949193 0.81 EPHX2 (0.35) KDM4EEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10443026-B2 Polygonal scaffold and manufacturing method thereof, and protein modulator and manufacturing method thereof NATIONAL TSING HUA UNIVERSITY (TW) 2019-10-15 US disclosed
US-20190194590-A1 POLYGONAL SCAFFOLD AND MANUFACTURING METHOD THEREOF, AND PROTEIN MODULATOR AND MANUFACTURING METHOD THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2019-06-27 US disclosed
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 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-20190194590-A1 POLYGONAL SCAFFOLD AND MANUFACTURING METHOD THEREOF, AND PROTEIN MODULATOR AND MANUFACTURING METHOD THEREOF PPIA, PPIH, FKBP1A CYP1A2 3805/4885CYP2D6 4137/4885ALOX15 4383/4885
US-10443026-B2 Polygonal scaffold and manufacturing method thereof, and protein modulator and manufacturing method thereof PPIA, PPIH, FKBP1A CYP1A2 4091/4885CYP2D6 4295/4885ALOX15 4402/4885

“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.