SCHEMBL12823921

SCHEMBL12823921

CCCC1CCC(c2ccc(C3CCC(OC(=O)c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ OPRL1 P41146 12/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL12741106 0.87 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL12741103 0.87 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL12823918 0.87 KMT2A (0.38) ALDH1A1MAPTKMT2ATP53SERPINE1
SCHEMBL13586348 0.86 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL12741124 0.85 KCNQ3 (0.41) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL12822748 0.85 KMT2A (0.33) ALDH1A1KMT2ATP53SERPINE1GPR119
SCHEMBL10690022 0.85 ALDH1A1 (0.34) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10690010 0.85 ALDH1A1 (0.34) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10690018 0.85 ALDH1A1 (0.34) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL12821304 0.85 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTOPRL1

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 2816/4885ALDH1A1 1480/4885LMNA 530/4885

“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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