SCHEMBL17070253

SCHEMBL17070253

CCCC1CCCC(c2ccc(-c3ccc(C(F)(F)Oc4ccc(OCC)c(F)c4F)c(F)c3F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.36
CYP2C9 P11712 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 5/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
S1PR1 P21453 1/20 0.31
APP P05067 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
SCHEMBL17070254 0.94 ESR2 (0.35) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL17070268 0.94 ESR2 (0.34) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL17070266 0.93 ESR2 (0.34) ESR2CYP2C9ESR1CYP3A4CYP2D6
SCHEMBL17070256 0.89 CYP3A4 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17070252 0.89 CYP3A4 (0.31) ESR2CYP2C9CYP3A4S1PR1APP
SCHEMBL29432462 0.87 CYP2C9 (0.44) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL26209573 0.87 CYP2C9 (0.44) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL4402617 0.87 CYP2C9 (0.44) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2604710 0.87 CYP2C9 (0.44) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17614865 0.86 CYP2C9 (0.43) ESR2CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9493704-B2 Cycloheptane derivative and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-11-15 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
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 ESR2 3520/4885CYP2C9 1304/4885ALDH1A1 1573/4885

“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.