SCHEMBL7033869

SCHEMBL7033869

CC(Cc1cc2ccccc2s1)(C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
BCL2L1 Q07817 1/20 0.53
ASIC3 Q9UHC3 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
ADRB2 P07550 1/20 0.50
AGXT P21549 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
IDH1 O75874 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL7026252 0.89 CYP2A6 (0.50) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7029438 0.86 MMP8 (0.47) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7033990 0.86 CYP2A6 (0.44) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7025434 0.86 FAAH (0.50) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7030160 0.86 CYP2A6 (0.53) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7028172 0.85 CYP2A6 (0.49) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL28040032 0.85 CYP2A6 (0.49) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7025922 0.84 CYP2A6 (0.51) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7035389 0.84 RAB9A (0.46) CYP2A6BCL2L1ASIC3LOXL2ADRB2
SCHEMBL7029173 0.84 MMP8 (0.52) CYP2A6BCL2L1ADRB2KDM4CHDAC3

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 CYP2A6 1367/4885BCL2L1 909/4885ASIC3 4582/4885

“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.