Sugi Predict

Sugi Predict / Compounds / SCHEMBL12741124

SCHEMBL12741124

SCHEMBL12741124

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ KDM1A O60341 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SERPINE1 P05121 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 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
SCHEMBL12741125 0.93 THRA (0.38) KCNQ3KCNQ2CYP2C9MAPTALDH1A1
SCHEMBL12719228 0.92 KCNQ3 (0.40) KCNQ3KCNQ2MAPTKMT2AKDM1A
SCHEMBL12741132 0.91 KCNQ3 (0.39) KCNQ3KCNQ2MAPTKMT2AKDM1A
SCHEMBL12719425 0.89 KCNQ3 (0.41) KCNQ3KCNQ2MAPTLMNAKMT2A
SCHEMBL14767210 0.89 KCNQ3 (0.41) KCNQ3KCNQ2MAPTKMT2AKDM1A
SCHEMBL12741133 0.89 KCNQ3 (0.41) KCNQ3KCNQ2MAPTKMT2AKDM1A
SCHEMBL12741103 0.88 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL12741106 0.88 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL14767301 0.86 THRA (0.39) KCNQ3KCNQ2MAPTALDH1A1LMNA
SCHEMBL12737636 0.86 KDM1A (0.38) KCNQ3KCNQ2CYP2C9MAPTALDH1A1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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 (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 KCNQ3 547/4885KCNQ2 850/4885CYP2C9 2816/4885

“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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