SCHEMBL10088482

SCHEMBL10088482

CC(C)(C)C#Cc1ccc2c(c1)OCC(C=O)=C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.38
P2RY6 Q15077 1/20 0.38
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
BACE1 P56817 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAP3K14 Q99558 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL10088473 0.83 GRM5 (0.34) RARARARGPTGS1PTGS2APP
SCHEMBL10088474 0.81 GRM5 (0.44) PTGS1PTGS2APP
SCHEMBL13350087 0.80 APP (0.38) PTGS1PTGS2APP
SCHEMBL10088476 0.80 PTGS1 (0.44) RARARARGPTGS1PTGS2KCNH2
SCHEMBL2330276 0.80 PTGS1 (0.44) DRD5P2RY6RARARARGPTGS1
SCHEMBL10088477 0.80 GRM5 (0.40) PTGS1PTGS2
SCHEMBL10088510 0.77 GRM5 (0.31)
SCHEMBL10088934 0.76 RARA (0.38) RARARARGPTGS1PTGS2
SCHEMBL10088498 0.76 NPC1 (0.37) P2RY6KCNH2
SCHEMBL10088509 0.75 FFAR1 (0.39) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO 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 (2 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 DRD5 1309/4885P2RY6 543/4885RARA 2617/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 DRD5 1667/4885P2RY6 748/4885RARA 2056/4885

“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.