SCHEMBL10301834

SCHEMBL10301834

CCOc1ccc(C2CCC(/C=C/c3ccc(CC)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAMKK1 Q8N5S9 2/20 0.33
▸ CAMKK2 Q96RR4 2/20 0.33
▸ POLB P06746 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CPS1 P31327 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CCL2 P13500 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PPARD Q03181 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ NQO2 P16083 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL10301835 0.92 CAMKK1 (0.30) CAMKK1CAMKK2MEN1KMT2A
SCHEMBL10301840 0.92 CAMKK1 (0.33) CAMKK1CAMKK2POLBMAOAMAOB
SCHEMBL10301832 0.91 CYP1A1 (0.36) POLBMAOAMAOBCPS1MEN1
SCHEMBL10301838 0.89 CHRNB2 (0.32) CAMKK1CAMKK2POLBCPS1CHRNB2
SCHEMBL10301836 0.89 CNR2 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL10301841 0.88 HPGD (0.32) CAMKK1CAMKK2POLBCHRNB2CHRNA4
SCHEMBL10301837 0.88 CHRNB2 (0.31) CAMKK1CAMKK2POLBCHRNB2CHRNA4
SCHEMBL12734155 0.88 KDM4E (0.31) CAMKK1CAMKK2CHRNB2CHRNA4MEN1
SCHEMBL12734165 0.88 ALDH1A1 (0.32) CAMKK1CAMKK2CPS1BRD4CCL2
SCHEMBL10302999 0.88 CYP1A1 (0.35) POLBCPS1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CAMKK1 2016/4885CAMKK2 2829/4885POLB 4093/4885

“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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