SCHEMBL12622232

SCHEMBL12622232

CCCC1CCC(C2CCC(C3Cc4ccc(OCC)c(F)c4C(=O)O3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TLR4 O00206 1/20 0.31
LMNA P02545 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
SCHEMBL12621780 0.99 ALDH1A1 (0.32) ALDH1A1MAPTHTTLMNA
SCHEMBL30472768 0.99 ALDH1A1 (0.32) ALDH1A1MAPTHTTLMNA
SCHEMBL12621787 0.92 CYP1A2 (0.33) MAPT
SCHEMBL12621810 0.92 BACE1 (0.32) ALDH1A1MAPTHTT
SCHEMBL12621772 0.90 GRIN1 (0.32) ALDH1A1HTTLMNA
SCHEMBL12621795 0.89 ALDH1A1 (0.38) ALDH1A1MAPTHTTLMNA
SCHEMBL12622255 0.88 ALDH1A1 (0.38) ALDH1A1MAPTHTTLMNA
SCHEMBL12621894 0.86 ALDH1A1 (0.32) ALDH1A1MAPTHTT
SCHEMBL12622012 0.86 GPR119 (0.35)
SCHEMBL12376076 0.84 MAOA (0.33) TLR4

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 ALDH1A1 3098/4885MAPT 251/4885HTT 54/4885

“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.