SCHEMBL12823100

SCHEMBL12823100

CCCC(O)C1CCC(c2ccc(C3CCC(OCc4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 6/20 0.36
▸ SIGMAR1 Q99720 6/20 0.36
▸ TMEM97 Q5BJF2 3/20 0.36
▸ NAAA Q02083 2/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC5A2 P31639 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 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
SCHEMBL12719298 0.90 DRD4 (0.33) DRD4SIGMAR1TMEM97NAAAHTR6
SCHEMBL12718990 0.90 DRD4 (0.33) DRD4SIGMAR1TMEM97NAAAHTR6
SCHEMBL12823789 0.89 DRD4 (0.36) DRD4SIGMAR1TMEM97NAAAHTR6
SCHEMBL12823012 0.88 DRD4 (0.32) DRD4SIGMAR1TMEM97HTR6ALOX5AP
SCHEMBL12823842 0.87 PPARD (0.40) PPARGPPARDPPARAFFAR1
SCHEMBL12718756 0.86 GPR119 (0.32) DRD4SIGMAR1TMEM97
SCHEMBL12823730 0.86 FFAR4 (0.33) KDM1APPARGFFAR1KMT2ASLC5A2
SCHEMBL14767127 0.86 DRD4 (0.40) DRD4SIGMAR1TMEM97NAAAHTR6
SCHEMBL10303385 0.85 DRD4 (0.35) DRD4SIGMAR1TMEM97NAAAHTR6
SCHEMBL12823721 0.85 FFAR4 (0.37) NAAAKDM1A

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-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 97/4885SIGMAR1 1690/4885TMEM97 2963/4885

“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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