SCHEMBL16406501

SCHEMBL16406501

CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(C=O)c(C=O)cc(OC(=O)c3ccccc3)c2CC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MET P08581 3/20 0.33
▸ PSEN1 P49768 1/20 0.32

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
SCHEMBL16406493 0.79 ICMT (0.36) NR1H4ALOX5BACE1
SCHEMBL16408431 0.78 ICMT (0.35) NR1H4ALOX5BACE1
SCHEMBL16408430 0.76 ALOX5 (0.38) ALOX5
SCHEMBL16406497 0.76 ALOX5 (0.39) NR1H4ALOX5BACE1
SCHEMBL21972849 0.74 ALOX5 (0.35) ALOX5
SCHEMBL16406504 0.72 ALOX5 (0.44) ALOX5
SCHEMBL30075081 0.72 ALOX5 (0.44) ALOX5
SCHEMBL16406480 0.72 ALOX5 (0.44) ALOX5
SCHEMBL16406498 0.72 ALOX5 (0.36) ALOX5
SCHEMBL16406495 0.70 ALOX5 (0.38) ALOX5

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 NR1H4 1686/4885PTPN1 1700/4885ALOX5 3596/4885

“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