SCHEMBL17997299

SCHEMBL17997299

CCCCCC1CCC(c2ccc(CCc3ccc(OCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRL1 P41146 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
SCHEMBL12734860 0.97 GAA (0.32) GAAMAPTMEN1KMT2A
SCHEMBL12739665 0.97 GAA (0.32) GAAMAPTMEN1KMT2A
SCHEMBL7728037 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL1574929 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL2604707 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL7728041 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL7728045 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL3269906 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL30450387 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL1575411 0.92 GAA (0.32) GAAMAPTMEN1KMT2A

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-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO.,LTD (CN) 2018-04-26 US disclosed
US-9540565-B2 Liquid crystal compounds containing dibenzopyran derivatives of naphthenic base and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2017-01-10 US disclosed
US-20160230092-A1 LIQUID CRYSTAL COMPOUNDS CONTAINING DIBENZOPYRAN DERIVATIVES OF NAPHTHENIC BASE AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2016-08-11 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-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, WASF2, NOTUM GAA 4571/4885MAPT 2141/4885MEN1 3306/4885

“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.