SCHEMBL24969376

SCHEMBL24969376

C[C@@]1(c2ccccc2C2CC2)CCC[C@@H](O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
TRPA1 O75762 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
HBB P68871 2/20 0.32
POLB P06746 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL26378122 0.81 GRIN1 (0.40) POLBALDH1A1
SCHEMBL26187481 0.79 LPAR1 (0.37) TSHRPOLB
SCHEMBL5755544 0.70 OPRM1 (0.43) TRPA1GAASMN1; SMN2OPRL1
SCHEMBL11704572 0.69 SIGMAR1 (0.39) TRPA1ALOX15TSHRMAPK1
SCHEMBL26187485 0.68 TSHR (0.39) GAAMAPTTSHRKDM4EALDH1A1
SCHEMBL21436223 0.67 HDAC4 (0.40) SMN1; SMN2OPRL1
SCHEMBL24969365 0.67 HDAC4 (0.40) SMN1; SMN2OPRL1
SCHEMBL20934329 0.66 SLC6A4 (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL21436202 0.66 HDAC4 (0.39) SMN1; SMN2OPRL1
SCHEMBL1381231 0.65 CYP19A1 (0.36) POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022767-A1 SALTS OF (2R, 6R)-HYDROXYNORKETAMINE, THEIR CRYSTAL FORMS, AND METHODS OF MAKING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2023-01-26 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 (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-20230022767-A1 SALTS OF (2R, 6R)-HYDROXYNORKETAMINE, THEIR CRYSTAL FORMS, AND METHODS OF MAKING THE SAME KHK, GCK, HK1 PDK2 43/4885PDK4 59/4885TRPA1 4304/4885

“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.