SCHEMBL2522686

SCHEMBL2522686

OC1CCC=C1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
SLC6A1 P30531 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.32
SLC6A11 P48066 1/20 0.31
ESR2 Q92731 3/20 0.31
ESR1 P03372 1/20 0.31
TYMP P19971 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
TK1 P04183 1/20 0.30
MEN1 O00255 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
SCHEMBL22091459 1.00 KIF11 (0.39) KIF11SLC6A1CYP2C19CYP2C9ALOX15
SCHEMBL22091450 0.77 KIF11 (0.35) KIF11SLC6A1CYP2C19CYP2C9ALOX15
SCHEMBL1583921 0.71 ELANE (0.31) KIF11SLC6A1ELANE
SCHEMBL28791230 0.67 KIF11 (0.47) KIF11SLC6A1CYP2C19CYP2C9ALOX15
SCHEMBL99028 0.66 KIF11 (0.42) KIF11SLC6A1CYP2C19CYP2C9ALOX15
SCHEMBL2380764 0.66 KIF11 (0.42) KIF11SLC6A1CYP2C19CYP2C9ALOX15
SCHEMBL1092597 0.66 KIF11 (0.54) KIF11CYP2C19CYP2C9TSHRKDM4E
SCHEMBL99301 0.65 KIF11 (0.49) KIF11SLC6A1CYP2C19CYP2C9ALOX15
SCHEMBL99300 0.65 KIF11 (0.49) KIF11SLC6A1CYP2C19CYP2C9ALOX15
SCHEMBL21808098 0.64 CYP2C9 (0.37) KIF11SLC6A1CYP2C19CYP2C9ALOX15

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-8569490-B2 Intermediate and process for preparing entecavir using same HANMI SCIENCE CO., LTD (KR) 2013-10-29 US disclosed
EP-2382217-B1 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME HANMI SCIENCE CO LTD (KR) 2013-10-23 EP disclosed
EP-2382217-A2 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME Hanmi Holdings Co., Ltd. (KR) 2011-11-02 EP disclosed
US-20110251387-A1 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME HANMI HOLDINGS CO., LTD. (KR) 2011-10-13 US disclosed
WO-2010074534-A2 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME HANMI PHARM. CO., LTD. (KR) 2010-07-01 WO 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-20110251387-A1 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME ENTPD5, ENTPD1, SAMHD1 KIF11 3629/4885SLC6A1 4231/4885CYP2C19 516/4885

“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.