SCHEMBL17070237

SCHEMBL17070237

CCCC1CCCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
ESR2 Q92731 6/20 0.34
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
S1PR1 P21453 1/20 0.31
ESR1 P03372 5/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL17070241 0.94 ESR2 (0.32) ESR2
SCHEMBL17070240 0.93 ESR2 (0.32) CYP2C9ESR2ESR1CYP3A4CYP2D6
SCHEMBL17070248 0.92 CYP2C9 (0.37) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL17070221 0.91 CYP2C9 (0.37) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL13002553 0.88 CYP2C9 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL15744368 0.87 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1255216 0.87 CYP2C9 (0.39) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL16978443 0.87 S1PR1 (0.36) CYP2C9MAPTKMT2AS1PR1CYP3A4
SCHEMBL17190570 0.87 CYP2C9 (0.44) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL17070209 0.87 CYP2C9 (0.44) CYP2C9ESR2ALDH1A1LMNAMAPT

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 CYP2C9 1304/4885ESR2 3520/4885ALDH1A1 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.