SCHEMBL29940664

SCHEMBL29940664

COc1ccc2c(c1)C(C)(C)C(=O)CC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
POLA1 P09884 4/20 0.43
METAP1 P53582 2/20 0.42
BCL2 P10415 1/20 0.42
ACHE P22303 1/20 0.41
TYMS P04818 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL393640 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4THRBMAPK1POLA1
SCHEMBL227927 0.88 AR (0.46) ALDH1A1CYP3A4THRBMAPK1METAP1
SCHEMBL28413224 0.84 METAP1 (0.47) ALDH1A1CYP3A4THRBMAPK1POLA1
SCHEMBL30476321 0.84 METAP1 (0.47) ALDH1A1CYP3A4THRBMAPK1POLA1
SCHEMBL1704071 0.82 TYMS (0.44) TYMS
SCHEMBL6352722 0.79 CYP3A4 (0.43) ALDH1A1CYP3A4THRBMAPK1POLA1
SCHEMBL7807277 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4THRBMAPK1POLA1
SCHEMBL898418 0.78 MAPK14 (0.43) ALDH1A1MAPK1METAP1
SCHEMBL28634277 0.76 CYP3A4 (0.42) ALDH1A1CYP3A4THRBMAPK1POLA1
SCHEMBL11700936 0.76 CYP3A4 (0.41) ALDH1A1CYP3A4THRBMAPK1POLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4321514-B1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF CGENETECH SUZHOU CHINA CO LTD (CN) 2025-12-03 EP disclosed
US-20240246927-A1 COMPOUNDS WITH ALK INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CGENETECH (SUZHOU, CHINA) CO., LTD. (CN) 2024-07-25 US disclosed
EP-4321514-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF CGeneTech (Suzhou, China) Co., Ltd. (CN) 2024-02-14 EP disclosed
CN-115340523-B Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)股份有限公司 2023-12-15 CN disclosed
WO-2022237813-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 盛世泰科生物医药技术(苏州)有限公司 2022-11-17 WO disclosed
CN-115340523-A Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)有限公司 2022-11-15 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 (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-20240246927-A1 COMPOUNDS WITH ALK INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ALK, ACVR1, ALKBH3 ALDH1A1 571/4885CYP3A4 2207/4885THRB 1050/4885

“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.