SCHEMBL12621998

SCHEMBL12621998

CCCCCC1CCC(C2Cc3ccc(-c4ccc(OCC)c(F)c4F)cc3C(=O)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.35
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
CYP1A1 P04798 1/20 0.30
FPR2 P25090 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL12376014 0.88 SIRT2 (0.32) GPR119
SCHEMBL12621787 0.85 CYP1A2 (0.33)
SCHEMBL12622013 0.82 PDE5A (0.30)
SCHEMBL12622012 0.81 GPR119 (0.35) PTPRCGRIN1GRIN2BGPR119FPR2
SCHEMBL30472768 0.78 ALDH1A1 (0.32)
SCHEMBL12621780 0.78 ALDH1A1 (0.32)
SCHEMBL12622232 0.77 ALDH1A1 (0.32)
SCHEMBL12621801 0.77 LYPLA1 (0.34)
SCHEMBL12375965 0.76 S1PR3 (0.39) HTR2AHTR2C
SCHEMBL1311188 0.76 FFAR4 (0.39)

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-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 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 (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-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE HCN2, PIEZO1, TRPV4 PTPRC 3309/4885GRIN1 1474/4885GRIN2B 2697/4885

“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.