SCHEMBL3825

SCHEMBL3825

C[C@@H]1CCC[C@@]2(C)CC[C@H]3[C@H](C)CC[C@@H](C[C@H]12)C3(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NR1I3 Q14994 1/20 0.40
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
MBOAT4 Q96T53 2/20 0.33
RET P07949 1/20 0.31
MAPK14 Q16539 1/20 0.31
CAMK1D Q8IU85 1/20 0.31

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
SCHEMBL332530 1.00 CDK5 (0.40) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL901326 1.00 CDK5 (0.40) CDK5CDK5R1NR1I3GRIN1GRIN2B
Water SCHEMBL1070875 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Ammonia Solution, Strong SCHEMBL2074263 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL27882040 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Water SCHEMBL1888091 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL789094 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Water SCHEMBL3935755 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Cyanide SCHEMBL28515924 0.95 CDK5 (0.38) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL17856475 0.94 NR1I3 (0.40) CDK5CDK5R1NR1I3GRIN1GRIN2B

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

Appears in 69081 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146291-A1 METHOD FOR PREDICTING A RESPONSE TO SYSTEMIC TREATMENT IN A HORMONE RECEPTOR-POSITIVE (HR+) AND HUMAN EPIDERMAL GROWTH FACTOR RECEPTOR 2-NEGATIVE (HER2-) BREAST CANCER PATIENT GBG FORSCHUNGS GMBH (DE) 2026-05-28 US claimed
EP-4746926-A2 PSMA-TARGETING RADIOLIGAND TREATMENT REGIMEN Novartis AG (CH) 2026-05-27 EP claimed
EP-4748453-A2 METHODS OF TREATING LOCALLY ADVANCED OR METASTATIC BREAST CANCERS USING PD-1 AXIS BINDING ANTAGONISTS AND TAXANES F. Hoffmann-La Roche AG (CH) 2026-05-27 EP claimed
EP-4071174-B1 METHODS COMPRISING FIXED INTERMITTENT DOSING OF CEDIRANIB ASTRAZENECA AB (SE) 2026-05-27 EP claimed
EP-4747388-A1 RECOMBINANT BACTERIAL CELL CAPABLE OF EXPRESSING A HETEROLOGOUS EXTRACELLULAR MATRIX (ECM) DEGRADING POLYPEPTIDE USING A TUMOUR-INDUCIBLE PROMOTER NEOBE THERAPEUTICS LTD (GB) 2026-05-27 EP claimed
US-12636384-B2 Nanoemulsion with porphyrin shell UNIVERSITY HEALTH NETWORK (CA) 2026-05-26 US claimed
CN-117180264-B Application of schisandrin B in preparing analgesic Mengyang Pharmaceutical (Shanghai) Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122094689-A Combination therapy of diacylglycerol kinase (DGK) alpha inhibitors with other therapies 2026-05-26 CN claimed
US-12636379-B2 Microbubble-chemotherapeutic agent complex for sonodynamic therapy Sonotarg Limited (GB) 2026-05-26 US claimed
CN-122075734-A Conjugates comprising tetrapeptides, methods of making, intermediates and uses thereof 2026-05-26 CN claimed
WO-1992009589-A1 METHOD FOR PREPARING TAXANE DERIVATIVES, NOVEL DERIVATIVES THEREBY OBTAINED AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1992-06-11 WO claimed
WO-1992007842-A1 METHOD FOR THE ISOLATION AND PURIFICATION OF TAXANE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1992-05-14 WO claimed
WO-1991017976-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PHENYLISOSERIN DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1991-11-28 WO claimed
WO-1991017977-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF PHENYLISOSERIN DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1991-11-28 WO claimed
WO-1991013066-A2 METHOD FOR PREPARING CIS-β-PHENYLGLYCIDIC-(2R,3R) ACID RHONE-POULENC RORER S.A. (FR) 1991-09-05 WO claimed
WO-1991013053-A1 DERIVATIVE OF β-PHENYLISOSERINE, PREPARATION AND UTILISATION THEREOF RHONE-POULENC RORER S.A. (FR) 1991-09-05 WO claimed
US-5019504-A Production of taxol or taxol-like compounds in cell culture THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1991-05-28 US claimed
EP-0414610-A1 Process for the enantioselective preparation of phenylisoserine derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1991-02-27 EP claimed
EP-0336840-A1 Process for the preparation of taxol CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-10-11 EP claimed
EP-0336841-A1 Process for the preparation of baccatin III derivatives and of desacetyl-10 baccatin III RHONE-POULENC SANTE (FR) 1989-10-11 EP claimed