SCHEMBL7239642

SCHEMBL7239642

CCOP(=O)(OCC)C(C(=O)N(CC)CC)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.36
FDPS P14324 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 3/20 0.34
POLB P06746 1/20 0.34
PPARD Q03181 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL11062894 0.77 POLB (0.42) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL17937995 0.70 POLB (0.46) CYP3A4CYP2C9CYP2C19GAAPOLB
SCHEMBL9067967 0.69 ALDH1A1 (0.41) LMNACYP3A4CYP2C9CYP2C19GAA
SCHEMBL9162193 0.68 TSHR (0.43) FDPSCYP3A4CYP2C9CYP2C19GAA
SCHEMBL8549163 0.68 TSHR (0.43) FDPSCYP3A4CYP2C9CYP2C19GAA
SCHEMBL27666450 0.67 PPARD (0.43) FDPSCYP3A4CYP2C9CYP2C19POLB
SCHEMBL27268583 0.66 TSHR (0.42) FDPSCYP3A4CYP2C9CYP2C19GAA
SCHEMBL9237295 0.66 PPARD (0.46) FDPSCYP3A4CYP2C9CYP2C19GAA
SCHEMBL9767458 0.66 MMP1 (0.45) MMP1MMP2MMP3MMP8LMNA
SCHEMBL3405218 0.65 LAP3 (0.44) CYP3A4CYP2C9CYP2C19POLBPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073671-A1 Non-steroidal ligands for the estrogen receptor WILLSON TIMOTHY MARK (US) 2003-04-17 US disclosed
US-20010053774-A1 Non-steroidal ligands for the estrogen receptor GLAXO WELLCOME INC.. 2001-12-20 US disclosed
US-6207716-B1 FOR PROPHYLAXIS AND THERAPY OF OSTEOPOROSIS, ARTHRITIS, BREAST CANCER, CARDIOVASCULAR DISEASE GLAXO WELLCOME INC. 2001-03-27 US disclosed
US-5877219-A Non-steroidal ligands for the estrogen receptor GLAXO WELLCOMEINC. (US) 1999-03-02 US disclosed
WO-1999007668-A1 NON-STEROIDAL LIGANDS FOR THE ESTROGEN RECEPTOR GLAXO WELLCOME INC. (US) 1999-02-18 WO disclosed
US-5681835-A USEFUL FOR TREATING OSTEOPOROSIS GLAXO WELLCOME INC. (US) 1997-10-28 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-20010053774-A1 Non-steroidal ligands for the estrogen receptor ESRRB, ESR2, ESRRA MMP1 1141/4885MMP2 1205/4885MMP3 653/4885
US-20030073671-A1 Non-steroidal ligands for the estrogen receptor ESRRB, ESR2, ESRRA MMP1 1141/4885MMP2 1205/4885MMP3 653/4885

“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.