SCHEMBL16406500

SCHEMBL16406500

COc1cc(C(=O)O)c(C(=O)O)c2c1CC(CO)C(C)(CC/C=C(\C)CCC=C(C)C)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PPARG P37231 3/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ PSEN1 P49768 1/20 0.35

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
SCHEMBL16408429 0.90 APP (0.41) APPPTPN1PPARGNR1H4PPARA
SCHEMBL16406497 0.81 ALOX5 (0.39) PPARGNR1H4PPARABACE1MAOB
SCHEMBL16406485 0.79 APP (0.45) APPPTPN1NR1H4BACE1MAOB
SCHEMBL16406489 0.71 APP (0.38) APPPTPN1NR1H4BACE1MAOB
SCHEMBL16408430 0.71 ALOX5 (0.38) MAOBALOX5
SCHEMBL16406492 0.70 APP (0.44) APPPTPN1NR1H4BACE1MAOB
SCHEMBL16406491 0.69 ALOX5 (0.42) APPPTPN1NR1H4BACE1MAOB
SCHEMBL21973056 0.68 ALOX5 (0.38) APPPPARGPPARAPPARDDNMT1
SCHEMBL21972849 0.68 ALOX5 (0.35) MAOBALOX5
SCHEMBL16406487 0.67 ALOX5 (0.39) APPPTPN1NR1H4BACE1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216987-B2 Chroman derivative TMS CO., LTD. (JP) 2015-12-22 — — US disclosed
US-20150025251-A1 CHROMAN DERIVATIVE TMS CO., LTD. (JP) 2015-01-22 — — 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-20150025251-A1 CHROMAN DERIVATIVE CDYL, CNOT1, CNPY2 APP 2822/4885PTPN1 1700/4885PPARG 389/4885

“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.

Send feedback