SCHEMBL2522159

SCHEMBL2522159

COC(C)OC.O=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 3/20 0.46
DRD1 P21728 5/20 0.45
ALDH1A3 P47895 1/20 0.44
TYR P14679 1/20 0.44
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 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
Benzaldehyde SCHEMBL432383 0.88 ALDH1A1 (0.61) ALDH1A1CYP2A6DRD1ALDH1A3TYR
SCHEMBL5733969 0.82 ALDH1A1 (0.68) ALDH1A1CYP2A6DRD1DRD2DRD4
SCHEMBL6032 0.82 ALDH1A1 (0.68) ALDH1A1CYP2A6DRD1DRD2DRD4
Benzene SCHEMBL28288569 0.82 ALDH1A1 (0.68) ALDH1A1CYP2A6DRD1DRD2DRD4
SCHEMBL10969109 0.82 ALDH1A1 (0.68) ALDH1A1CYP2A6DRD1DRD2DRD4
Fluoride SCHEMBL28127101 0.80 ALDH1A1 (0.65) ALDH1A1CYP2A6DRD1DRD2DRD4
Methane SCHEMBL28723228 0.80 ALDH1A1 (0.65) ALDH1A1CYP2A6DRD1DRD2DRD4
SCHEMBL10804430 0.79 CYP2A6 (0.67) ALDH1A1CYP2A6DRD1ALDH1A3TYR
Tannin Pyrogallol SCHEMBL28663913 0.77 ALDH1A1 (0.78) ALDH1A1CYP2A6DRD1MMP3CYP1A2
4-Hydroxybenzaldehyde SCHEMBL8727208 0.77 ALDH5A1 (0.64) ALDH1A1CYP2A6ALDH1A3TYRMMP2

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 10 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 claimed
EP-2382217-B1 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME HANMI SCIENCE CO LTD (KR) 2013-10-23 EP claimed
EP-2382217-A2 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME Hanmi Holdings Co., Ltd. (KR) 2011-11-02 EP claimed
US-20110251387-A1 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME HANMI HOLDINGS CO., LTD. (KR) 2011-10-13 US claimed
WO-2010074534-A2 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME HANMI PHARM. CO., LTD. (KR) 2010-07-01 WO claimed
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 ALDH1A1 589/4885CYP2A6 465/4885DRD1 1062/4885

“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.