Sugi Predict

Sugi Predict / Compounds / SCHEMBL21974801

SCHEMBL21974801

SCHEMBL21974801

CCc1ccc2c(c1)CCC(=O)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.40
▸ CYP1A2 P05177 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ IDO1 P14902 3/20 0.35
▸ TDO2 P48775 3/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
Iodomethane SCHEMBL28327876 0.97 SRD5A1 (0.38) SRD5A1CYP1A2ALDH1A1KDM4EPOLB
SCHEMBL27287933 0.76 TDP1 (0.41) SRD5A1TDP1PARP1L3MBTL1SRD5A2
SCHEMBL17666102 0.73 NPC1 (0.46) SRD5A1CYP1A2ALDH1A1KDM4EPOLB
SCHEMBL227927 0.73 AR (0.46) ALDH1A1CYP2C19PARP1MAPK1SMN1; SMN2
SCHEMBL9626255 0.73 RXRA (0.37) CYP1A2ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL10263577 0.73 SRD5A1 (0.44) SRD5A1CYP1A2ALDH1A1KDM4EPOLB
SCHEMBL27087529 0.72 HSD17B1 (0.40) ALDH1A1KDM4EHPGDTDP1IDO1
SCHEMBL20634800 0.72 — —
SCHEMBL2063038 0.72 TDP2 (0.48) ALDH1A1TDP1RAB9ALMNAMAPT
SCHEMBL7044322 0.72 ESR2 (0.43) SRD5A1CYP1A2ALDH1A1PARP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777710-B A kind of Ai Le replaces the synthetic method of Buddhist nun 湖南欧亚药业有限公司 2018-09-04 — — CN claimed
CN-105777710-A Synthesis method of Alectinib 湖南欧亚生物有限公司 2016-07-20 — — CN claimed
US-20210371410-A1 PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FRESENIUS KABI ONCOLOGY LIMITED (IN) 2021-12-02 — — US disclosed
CN-110452215-B Preparation method of erlotinib intermediate and erlotinib 新发药业有限公司 2020-07-17 — — CN disclosed
US-20200140427-A1 A PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FRESENIUS KABI ONCOLOGY LIMITED (IN) 2020-05-07 — — US disclosed
CN-105777710-B A kind of Ai Le replaces the synthetic method of Buddhist nun 湖南欧亚药业有限公司 2018-09-04 — — CN disclosed
CN-105777710-A Synthesis method of Alectinib 湖南欧亚生物有限公司 2016-07-20 — — CN disclosed
CN-105777710-A Synthesis method of Alectinib 湖南欧亚生物有限公司 2016-07-20 — — CN 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 (2 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-20200140427-A1 A PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PLEC, FCGR3B, SF3B5 SRD5A1 1193/4885CYP1A2 1474/4885ALDH1A1 1768/4885
US-20210371410-A1 PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PLEC, SF3B5, FCGR3B SRD5A1 1029/4885CYP1A2 1390/4885ALDH1A1 1789/4885

“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.