SCHEMBL12822696

SCHEMBL12822696

CCCC1CCC(c2ccc(OC(=O)C3CCC(c4ccc(C5CO5)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.36
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 5/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ OPRL1 P41146 5/20 0.32
▸ HTT P42858 1/20 0.31
▸ POLB P06746 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ GAA P10253 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
SCHEMBL12786637 0.92 MEN1 (0.35) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12823008 0.91 CYP2C9 (0.38) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12823378 0.90 CYP2C9 (0.36) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12737157 0.88 HPGD (0.41) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12742043 0.88 HPGD (0.41) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12737151 0.87 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12742021 0.87 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12742027 0.87 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12737148 0.87 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAHPGD
SCHEMBL12823686 0.87 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CYP2C9 2816/4885MAPT 1075/4885ALDH1A1 1480/4885

“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.

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