Sugi Predict

Sugi Predict / Compounds / SCHEMBL12740239

SCHEMBL12740239

SCHEMBL12740239

C/C=C/C1CCC(c2ccc(C3CCC(OCc4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 9/20 0.36
▸ NAAA Q02083 2/20 0.36
▸ SIGMAR1 Q99720 10/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ TMEM97 Q5BJF2 5/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ FFAR1 O14842 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31

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
SCHEMBL12740238 0.89 DRD4 (0.36) DRD4NAAASIGMAR1HTR6TMEM97
SCHEMBL14767127 0.88 DRD4 (0.40) DRD4NAAASIGMAR1HTR6TMEM97
SCHEMBL12740242 0.86 DRD4 (0.39) DRD4NAAASIGMAR1HTR6TMEM97
SCHEMBL13586365 0.86 DRD4 (0.41) DRD4NAAASIGMAR1HTR6TMEM97
SCHEMBL12740419 0.86 PPARD (0.39) HTR6FFAR1PPARGPPARDPPARA
SCHEMBL12736638 0.85 KDM1A (0.39) NAAAKDM1A
SCHEMBL12740236 0.85 DRD4 (0.38) DRD4NAAASIGMAR1HTR6TMEM97
SCHEMBL12739716 0.85 KDM1A (0.34) HTR6KDM1A
SCHEMBL12739998 0.84 FFAR4 (0.35) NAAAKDM1A
SCHEMBL12736599 0.84 NAAA (0.35) NAAAHTR1A

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 5 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
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 DRD4 97/4885NAAA 3997/4885SIGMAR1 1690/4885

“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.