SCHEMBL1286097

SCHEMBL1286097

Cc1c(C)c2c(c(/C=C/c3ccccc3)c1O)CCC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP19A1 P11511 3/20 0.40
ALOX5 P09917 4/20 0.37
TTR P02766 1/20 0.37
CCR5 P51681 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NFE2L2 Q16236 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34

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
SCHEMBL1286098 1.00 PTGS2 (0.41) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL1285734 0.86 ALOX5 (0.44) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL1285733 0.86 ALOX5 (0.44) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL633489 0.77 PTGS1 (0.48) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL1286363 0.76 PTGS1 (0.45) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL1285770 0.75 NLRP3 (0.36) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL1285772 0.75 NLRP3 (0.36) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL5795281 0.75 PTGS1 (0.50) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL5795283 0.75 PTGS1 (0.50) PTGS2PTGS1CYP1A2CYP3A4TSHR
SCHEMBL5795280 0.75 PTGS1 (0.50) PTGS2PTGS1CYP1A2CYP3A4TSHR

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 PTGS2 236/4885PTGS1 214/4885CYP1A2 111/4885
US-20090192179-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM PTGS2 236/4885PTGS1 214/4885CYP1A2 111/4885
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 PTGS2 435/4885PTGS1 296/4885CYP1A2 438/4885

“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.