SCHEMBL14997641

SCHEMBL14997641

Cc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
GRM5 P41594 2/20 0.47
KCNH2 Q12809 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
TSHR P16473 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CYP2A6 P11509 1/20 0.41
CA5A P35218 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NFE2L2 Q16236 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL10300108 1.00 KIF11 (0.47) KIF11GRM5KCNH2CA1CA2
SCHEMBL10300065 1.00 KIF11 (0.47) KIF11GRM5KCNH2CA1CA2
SCHEMBL10024793 0.91 KIF11 (0.44) KIF11GRM5KCNH2CA1CA2
SCHEMBL10300076 0.89 GRM5 (0.39) KIF11GRM5KCNH2CA1CA2
SCHEMBL14998069 0.88 KIF11 (0.56) KIF11TSHRALDH1A1
SCHEMBL16747679 0.88 KIF11 (0.56) KIF11TSHRALDH1A1
SCHEMBL10300077 0.86 GRM5 (0.38) KIF11GRM5KCNH2CA1CA2
SCHEMBL10300059 0.86 KCNH2 (0.39) KIF11GRM5KCNH2CA1CA2
SCHEMBL10300078 0.86 GRM5 (0.38) KIF11GRM5KCNH2CA1CA2
SCHEMBL10300074 0.86 GRM5 (0.38) KIF11GRM5KCNH2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109896920-B Synthetic method of phenanthrene and derivative thereof 南京邮电大学 2021-06-01 CN claimed
CN-109896920-B Synthetic method of phenanthrene and derivative thereof 南京邮电大学 2021-06-01 CN disclosed
EP-2799516-B1 LIQUID CRYSTAL MATERIAL OF SMECTIC PHASE IN HIGH SCATTERING STATE AND DISPLAY DEVICE THEREOF HALATION PHOTONICS CORP (CN) 2019-02-20 EP disclosed
US-9175220-B2 High scattering smectic liquid crystal material and display device using the same HALATION PHOTONICS CORPORATION (CN) 2015-11-03 US disclosed
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 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-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 KIF11 761/4885GRM5 2053/4885KCNH2 2041/4885

“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.