SCHEMBL29629442

SCHEMBL29629442

O=C(OCC1c2ccccc2-c2ccccc21)OP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
EPHX2 P34913 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PIN1 Q13526 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL29907332 0.88 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.85 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15058849 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL8485491 0.81 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17167370 0.79 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL13044481 0.79 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15119354 0.79 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4816547 0.78 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30662444 0.78 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL87486 0.78 CA1 (0.50) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250222117-A1 COMPOUND COMPRISING RALTITREXED OR 5-MTHF LINKED TO A THERAPEUTIC AGENT, COMPOSITION, AND METHOD OF USE PURDUE RESEARCH FOUNDATION 2025-07-10 US disclosed
EP-4463149-A2 COMPOUND COMPRISING RALTITREXED OR 5-MTHF LINKED TO A THERAPEUTIC AGENT, COMPOSITION, AND METHOD OF USE Purdue Research Foundation (US) 2024-11-20 EP disclosed
CN-118871104-A Compounds, compositions, and methods of use comprising raltitrexed or 5-MTHF linked to a therapeutic agent 普渡研究基金会 2024-10-29 CN disclosed
EP-4277709-A1 DENTAL CARE PRODUCT Dr. Kurt Wolff GmbH & Co. KG (DE) 2023-11-22 EP disclosed
US-20230331767-A1 TARGETED STEROID COMPOUNDS PURDUE RESEARCH FOUNDATION 2023-10-19 US disclosed
WO-2023137403-A2 COMPOUND COMPRISING RALTITREXED OR 5-MTHF LINKED TO A THERAPEUTIC AGENT, COMPOSITION, AND METHOD OF USE PURDUE RESEARCH FOUNDATION (US) 2023-07-20 WO disclosed
CN-115397519-A Antigenic polypeptides and methods of use thereof 艾吉纳斯公司 2022-11-25 CN disclosed
EP-4087580-A1 TARGETED STEROID COMPOUNDS Purdue Research Foundation (US) 2022-11-16 EP disclosed
CN-115003308-A Targeted steroid compounds 普渡研究基金会 2022-09-02 CN disclosed
WO-2022152347-A1 DENTAL CARE PRODUCT DR. KURT WOLFF GMBH & CO. KG (DE) 2022-07-21 WO disclosed
CN-114630837-A Antigenic polypeptides and methods of use thereof 艾吉纳斯公司 2022-06-14 CN 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-20230331767-A1 TARGETED STEROID COMPOUNDS CYP11B2, FOLR2, CYP11B1 KMT2A 4477/4885FABP5 394/4885FABP7 384/4885
US-20250222117-A1 COMPOUND COMPRISING RALTITREXED OR 5-MTHF LINKED TO A THERAPEUTIC AGENT, COMPOSITION, AND METHOD OF USE MTHFD1, MTHFD2, DHFR KMT2A 2271/4885FABP5 870/4885FABP7 2110/4885

“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.