SCHEMBL17070205

SCHEMBL17070205

CCCc1ccc(-c2cc(F)c(OC(F)(F)c3cc(F)c(F)c(F)c3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
MAOB P27338 7/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCL1 Q07820 1/20 0.33
KIF11 P52732 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
CYP17A1 P05093 1/20 0.32
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
FFAR4 Q5NUL3 2/20 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
SCHEMBL19703017 0.92 RARB (0.41) RARBRARARARGMAOBHSD17B10
SCHEMBL17402094 0.92 RARB (0.35) RARBRARARARGMAOBMCL1
SCHEMBL19703019 0.91 RARB (0.46) RARBRARARARGTP53HSD17B10
SCHEMBL17070293 0.91 RARB (0.34) RARBRARARARGMAOBNPC1
SCHEMBL17367998 0.91 RARB (0.32) RARBRARARARGMAOB
SCHEMBL17070206 0.89 KIF11 (0.33) NPC1RAB9ASMN1; SMN2KIF11RXRA
SCHEMBL19703021 0.88 MAOB (0.36) RARBRARARARGMAOBNPC1
SCHEMBL17368029 0.86 MAOB (0.36) RARBRARARARGMAOBNPC1
SCHEMBL17402092 0.85 RARB (0.41) RARBRARARARG
SCHEMBL7729622 0.84 MAOB (0.37) RARBRARARARGMAOBNPC1

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-20170355906-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-12-14 US disclosed
US-9493704-B2 Cycloheptane derivative and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-11-15 US disclosed
US-9365773-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2016-06-14 US disclosed
US-20160002534-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2016-01-07 US disclosed
US-20150252261-A1 CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2015-09-10 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-20150252261-A1 CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF DHPS, DHCR24, CCNT1 RARB 1601/4885RARA 1265/4885RARG 2473/4885

“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.