SCHEMBL17070262

SCHEMBL17070262

CCC1CCCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
APP P05067 1/20 0.33
FASN P49327 1/20 0.31
ESR2 Q92731 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
SCHEMBL16258097 0.96 FASN (0.33) CYP3A4CYP2C9APPFASN
SCHEMBL17070264 0.94 CYP3A4 (0.36) CYP3A4CYP2C9APPESR2
SCHEMBL12625784 0.94 FASN (0.33) CYP3A4CYP2C9APPFASN
SCHEMBL17070259 0.93 CYP2C9 (0.33) CYP3A4CYP2C9APPFASNESR2
SCHEMBL12625005 0.93 GRM2 (0.33) CYP3A4CYP2C9APPFASN
SCHEMBL12625823 0.92 FASN (0.31) FASN
SCHEMBL17070261 0.91 CYP3A4 (0.31) CYP3A4CYP2C9APPESR2
SCHEMBL12625802 0.90 CYP3A4 (0.34) CYP3A4CYP2C9APPFASN
SCHEMBL2393972 0.90 FASN (0.36) CYP3A4CYP2C9APPFASN
SCHEMBL17147774 0.90 CYP3A4 (0.36) CYP3A4CYP2C9APP

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 CYP3A4 1216/4885CYP2C9 1304/4885APP 607/4885

“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.