SCHEMBL2512922

SCHEMBL2512922

O[C@H]1CC=CC1COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
POLB P06746 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
PDE4D Q08499 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36

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
SCHEMBL865302 1.00 TSHR (0.45) TSHRPOLBTAAR1HTTLMNA
SCHEMBL2512920 1.00 TSHR (0.45) TSHRPOLBTAAR1HTTLMNA
SCHEMBL600300 0.79 TSHR (0.52) TSHRPOLBTAAR1HTTLMNA
SCHEMBL9416308 0.79 TSHR (0.44) TSHRPOLBTAAR1HTTLMNA
SCHEMBL22241751 0.79 BCHE (0.51) TSHRPOLBTAAR1HTTLMNA
SCHEMBL9416306 0.79 TSHR (0.44) TSHRPOLBTAAR1HTTLMNA
SCHEMBL9416309 0.79 TSHR (0.44) TSHRPOLBTAAR1HTTLMNA
SCHEMBL22091837 0.76 TSHR (0.64) TSHRPOLBTAAR1HTTLMNA
SCHEMBL2933597 0.74 TSHR (0.50) TSHRTAAR1LMNAPDE4DBCHE
SCHEMBL880187 0.74 TSHR (0.50) TSHRTAAR1LMNAPDE4DBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-211847754-U Crude entecavir intermediate-7 column chromatography pretreatment line 济南爱思医药科技有限公司 2020-11-03 CN claimed
CN-113024490-B Preparation method of entecavir intermediate 南通诺泰生物医药技术有限公司 2024-05-14 CN disclosed
CN-113024574-B Preparation method of oxadicyclohexane compound 南通诺泰生物医药技术有限公司 2024-03-29 CN disclosed
CN-113024574-A Preparation method of oxabicyclohexane compound 南通诺泰生物医药技术有限公司 2021-06-25 CN disclosed
CN-113024490-A Preparation method of entecavir intermediate 南通诺泰生物医药技术有限公司 2021-06-25 CN disclosed
CN-211847754-U Crude entecavir intermediate-7 column chromatography pretreatment line 济南爱思医药科技有限公司 2020-11-03 CN disclosed
CN-211586604-U Entecavir intermediate-7 coarse material synthetic line 济南爱思医药科技有限公司 2020-09-29 CN disclosed
EP-2752422-B1 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2017-08-16 EP disclosed
US-8859756-B2 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2014-10-14 US disclosed
EP-2552931-B1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES GILEAD PHARMASSET LLC (US) 2014-07-23 EP disclosed
EP-2752422-A1 Stereoselective synthesis of phosphorus containing actives Gilead Pharmasset LLC (US) 2014-07-09 EP disclosed
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 US disclosed
EP-0481754-B1 Hydroxymethyl(methylenecyclopentyl)Purines and Pyrimidines SQUIBB & SONS INC (US) 1997-08-20 EP disclosed
CN-1030916-C Process for preparing hydroxymethyl (methylenecyclopentyl) purines and pyrimidines SQUIBB & SONS INC (US) 1996-02-07 CN disclosed
US-5340816-A Viricides; administering to treat herpes simplex virus, varicella zoster virus and human cytomegalovirus infections E. R. SQUIBB & SONS, INC. (US) 1994-08-23 US disclosed
US-5206244-A Viricides E. R. SQUIBB & SONS, INC. (US) 1993-04-27 US disclosed
EP-0481754-A2 Hydroxymethyl(methylenecyclopentyl)Purines and Pyrimidines E.R. Squibb & Sons, Inc. (US) 1992-04-22 EP 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-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PPA1, ENPP1, ITPA TSHR 3793/4885POLB 515/4885TAAR1 4552/4885

“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.