SCHEMBL1285802

SCHEMBL1285802

COCOc1c(C)c(C)c2c(c1C)CCC(C)(C=O)O2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.42
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE3A Q14432 1/20 0.34
GSTO1 P78417 1/20 0.34
TTPA P49638 2/20 0.33

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
SCHEMBL8050778 0.87 PSEN1 (0.43) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL21344344 0.85 PTGS1 (0.38) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1285899 0.84 PSEN1 (0.40) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9073758 0.82 PSEN1 (0.43) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL13108840 0.82 PSEN1 (0.60) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL19910935 0.80 PTGS1 (0.43) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2141185 0.79 PSEN1 (0.43) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2143228 0.79 PSEN1 (0.43) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL19899579 0.78 MEN1 (0.42) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL15854991 0.78 PSEN1 (0.43) PSEN1MEN1KMT2APDE4APDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791155-B2 Chroman derivatives EDISON PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-20120088783-A1 CHROMAN DERIVATIVES AMPERE LIFE SCIENCES, INC. (US) 2012-04-12 US disclosed
US-8044097-B2 Chroman derivatives AMPERE LIFE SCIENCES, INC. (US) 2011-10-25 US disclosed
US-20090192179-A1 CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7514461-B2 Lipoxygenase moderators; autoimmune disease; neurodegenerative disease; respiratory system disorders; cardiovascular disorders; Alzheimer's disease; Parkinson's disease; amyotropic lateral sclerosis EDISON PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
WO-2005033092-A1 CHROMAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050065150-A1 Lipoxygenase moderators; autoimmune disease; neurodegenerative disease; respiratory system disorders; cardiovascular disorders; Alzheimer's disease; Parkinson's disease; amyotropic lateral sclerosis PTC THERAPEUTICS, INC. 2005-03-24 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 (3 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-20120088783-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM PSEN1 2723/4885PTGS1 214/4885PTGS2 236/4885
US-20090192179-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM PSEN1 2723/4885PTGS1 214/4885PTGS2 236/4885
US-20050065150-A1 Lipoxygenase moderators; autoimmune disease; neurodegenerative disease; respiratory system disorders; cardiovascular disorders; Alzheimer's disease; Parkinson's disease; amyotropic lateral sclerosis ALOX12, ALOX15, ALOX15B PSEN1 1718/4885PTGS1 296/4885PTGS2 435/4885

“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.