SCHEMBL7026280

SCHEMBL7026280

COc1cc2cc(CC(C)(C(=O)O)C(=O)NC3CCCCC3)sc2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STING1 Q86WV6 5/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EPHX1 P07099 1/20 0.39
CXCR6 O00574 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 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
SCHEMBL7026271 0.95 ALDH1A1 (0.45) ALDH1A1RAB9AL3MBTL1STING1NPC1
SCHEMBL7026274 0.88 ALDH1A1 (0.40) ALDH1A1RAB9AL3MBTL1STING1NPC1
SCHEMBL7028412 0.88 STING1 (0.47) ALDH1A1RAB9AL3MBTL1STING1NPC1
SCHEMBL7032738 0.82 STING1 (0.45) STING1
SCHEMBL7032230 0.82 CXCR6 (0.44) ALDH1A1RAB9AL3MBTL1NPC1MEN1
SCHEMBL7029339 0.82 STING1 (0.51) STING1
SCHEMBL7023586 0.78 STING1 (0.44) ALDH1A1STING1POLBMEN1KMT2A
SCHEMBL7032920 0.77 STING1 (0.40) ALDH1A1STING1PSMB5PSMB2
SCHEMBL7032737 0.76 STING1 (0.47) STING1
SCHEMBL7033309 0.76 STING1 (0.53) ALDH1A1L3MBTL1STING1MEN1KMT2A

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-20030109570-A1 Activate a peroxisome proliferator-activated receptor (PPAR) alpha or gamma which is an intranuclear transcription factor. The compound may be used as an active ingredient to give a drug for preventing or treating a variety of diseases MITSUI CHEMICALS, INC. (JP) 2003-06-12 US disclosed
EP-1284265-A1 BENZOTHIOPHENE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-02-19 EP 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-20030109570-A1 Activate a peroxisome proliferator-activated receptor (PPAR) alpha or gamma which is an intranuclear transcription factor. The compound may be used as an active ingredient to give a drug for preventing or treating a variety of diseases PPARG, PPARA, PPARD ALDH1A1 571/4885RAB9A 4353/4885L3MBTL1 3787/4885

“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.