SCHEMBL7129268

SCHEMBL7129268

COc1cccc(CCC(O)CO)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 17/20 0.59
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTGER4 P35408 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54

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
SCHEMBL6626334 1.00 BCHE (0.59) BCHEKDM4EL3MBTL1PTGER4PTGER3
SCHEMBL4225323 0.87 KDM4E (0.59) BCHEKDM4EL3MBTL1PTGER4PTGER3
SCHEMBL28129636 0.82 KDM4E (0.65) BCHEKDM4EL3MBTL1PTGER4PTGER3
SCHEMBL6035893 0.81 BCHE (0.68) BCHEKDM4EL3MBTL1
SCHEMBL28129637 0.79 BCHE (0.61) BCHEKDM4EL3MBTL1
SCHEMBL3056582 0.79 BCHE (0.64) BCHEKDM4EL3MBTL1
SCHEMBL9802685 0.77 BCHE (0.60) BCHEKDM4EL3MBTL1
SCHEMBL9741673 0.77 ABCB1 (0.47)
SCHEMBL13888119 0.77 BCHE (0.69) BCHEKDM4EL3MBTL1
SCHEMBL6626649 0.76 MEN1 (0.42) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1564818-A Stereoselective synthesis method of 2-hydroxymethyl-chroman WYETH CORP (US) 2005-01-12 CN disclosed
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US disclosed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 US disclosed
WO-2003031439-A1 ANTIDEPRESSANT CHROMAN AND CHROMENE DERIVATIVES OF 3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE WYETH (US) 2003-04-17 WO 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-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole TPH1, HTR1D, HTR1A BCHE 3226/4885KDM4E 1571/4885L3MBTL1 3759/4885

“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.