SCHEMBL4984411

SCHEMBL4984411

COc1ccc2c(c1)C(C)(O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 4/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM1A O60341 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL29587519 1.00 POLA1 (0.51) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2981802 0.90 POLA1 (0.50) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5749365 0.89 KDM1A (0.58) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31650219 0.89 KDM1A (0.58) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5735496 0.83 KDM1A (0.51) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9252967 0.81 KDM1A (0.50) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5396757 0.78 POLA1 (0.52) POLA1KDM1ASIGMAR1MEN1KMT2A
SCHEMBL6567499 0.78 KDM1A (0.48) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7967461 0.78 POLA1 (0.52) POLA1KDM1ASIGMAR1MEN1KMT2A
SCHEMBL6580889 0.78 POLA1 (0.55) POLA1CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478211-B Preparation method of etazocine intermediate 广州一品红制药有限公司 2024-01-09 CN disclosed
CN-114478213-B Method for preparing etazocine intermediate by utilizing micro-channel device 广州一品红制药有限公司 2023-12-08 CN disclosed
US-20210087156-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF BENZODICYCLOALKANE DERIVATIVE, POLYMORPHIC SUBSTANCE THEREOF, AND APPLICATION THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-03-25 US disclosed
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-03-03 US disclosed
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-30 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
US-7144885-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-05 US disclosed
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders BAYER HEALTHCARE LLC 2005-07-28 US disclosed
EP-1478639-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2004-11-24 EP disclosed
WO-2003072566-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-09-04 WO disclosed
EP-0106487-A2 Improvements in or relating to novel bridged hexahydrobenz(f)isoquinolines ELI LILLY AND COMPANY (US) 1984-04-25 EP disclosed
EP-0106486-A2 Improvements in or relating to novel octahydrobenz(f)isoquinolines ELI LILLY AND COMPANY (US) 1984-04-25 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 (5 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-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders MKI67, CCNA2, CDK4 POLA1 419/4885CYP3A4 3416/4885CYP2C9 4183/4885
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders MKI67, CCNI, PCNA POLA1 276/4885CYP3A4 2784/4885CYP2C9 3520/4885
US-20210087156-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF BENZODICYCLOALKANE DERIVATIVE, POLYMORPHIC SUBSTANCE THEREOF, AND APPLICATION THEREOF CYP3A43, ABCB1, CYP3A5 POLA1 3826/4885CYP3A4 11/4885CYP2C9 9/4885
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CYP3A7, CYP2A7, CYP2J2 POLA1 3157/4885CYP3A4 32/4885CYP2C9 15/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 POLA1 3132/4885CYP3A4 35/4885CYP2C9 13/4885

“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.