SCHEMBL23629562

SCHEMBL23629562

CCc1ccc(C(C)(C)C(=O)OC)cc1I

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
BRS3 P32247 1/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KCNN4 O15554 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL30880292 1.00 CNR2 (0.47) CNR2CNR1BRS3SLC6A3ALDH1A1
SCHEMBL30880291 1.00 CNR2 (0.47) CNR2CNR1BRS3SLC6A3ALDH1A1
SCHEMBL17448496 0.86 CNR2 (0.34) CNR2CNR1SLC6A3ESR1ESR2
SCHEMBL28354748 0.84 SLC6A3 (0.35) CNR2CNR1SLC6A3ALDH1A1ESR1
SCHEMBL897783 0.82 APP (0.41) ALDH1A1ESR1ESR2
SCHEMBL29660078 0.82 APP (0.41) ALDH1A1ESR1ESR2
SCHEMBL19296748 0.80 ESR1 (0.33) SLC6A3ESR1ESR2MTNR1AMTNR1B
SCHEMBL29962699 0.80 ESR1 (0.34) SLC6A3ALDH1A1ESR1ESR2NR1H4
SCHEMBL17434660 0.80 ESR1 (0.34) SLC6A3ALDH1A1ESR1ESR2NR1H4
SCHEMBL13264181 0.80 CNR1 (0.46) CNR2CNR1BRS3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848361-B1 METHOD OF PRODUCING TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-01-22 EP disclosed
CN-112585126-B Process for preparing tetracyclic compounds 中外制药株式会社 2024-05-07 CN disclosed
US-11939322-B2 Method for producing tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-03-26 US disclosed
US-20220372025-A1 METHOD FOR PRODUCING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-11-24 US disclosed
EP-3848361-A1 METHOD OF PRODUCING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-07-14 EP disclosed
CN-112585126-A Tetracyclic compounds 中外制药株式会社 2021-03-30 CN disclosed
CN-108178743-A A kind of Ai Le replaces the preparation method of Buddhist nun's key intermediate 安庆奇创药业有限公司 2018-06-19 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-20220372025-A1 METHOD FOR PRODUCING TETRACYCLIC COMPOUND CYP1B1, CYP4B1, PAICS CNR2 694/4885CNR1 994/4885BRS3 3557/4885
US-11939322-B2 Method for producing tetracyclic compound CYP1B1, CYP4B1, PAICS CNR2 694/4885CNR1 994/4885BRS3 3557/4885

“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.