SCHEMBL16637914

SCHEMBL16637914

CC(C)(O)CCOc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
CHRNA7 P36544 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6255661 0.90 HRH3 (0.49) ALDH1A1KDM4EHRH3SMN1; SMN2MAPT
SCHEMBL17069861 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL15782889 0.82 L3MBTL1 (0.52) DRD4DRD2DRD3HRH3PPARA
SCHEMBL9935752 0.82 LTA4H (0.53) DRD4DRD2DRD3HRH3LMNA
SCHEMBL28308603 0.81 HRH3 (0.41) ALDH1A1KDM4EHRH3SMN1; SMN2MAPT
SCHEMBL16647614 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL9935748 0.81 HRH3 (0.43) HRH3SMN1; SMN2MAPTPPARAL3MBTL1
SCHEMBL9592060 0.81 SMN1; SMN2 (0.53) KDM4EHRH3SMN1; SMN2LMNAMAOB
SCHEMBL18034737 0.81 TDP1 (0.52) ALDH1A1HRH3SMN1; SMN2MAPTL3MBTL1
SCHEMBL941289 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EDRD4DRD2DRD3

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891158-B1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2025-09-10 EP disclosed
US-12247045-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-11 US disclosed
US-20240199621-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2024-06-20 US disclosed
CN-112585147-B MAP4K4 inhibitors 帝国理工学院创新有限公司 2023-12-05 CN disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
WO-2023134753-A1 TUBULIN-SRC DUAL TARGET INHIBITOR 武汉人福创新药物研发中心有限公司 2023-07-20 WO disclosed
CN-116444425-A tubulin-SRC dual target inhibitors 武汉人福创新药物研发中心有限公司 2023-07-18 CN disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
EP-3055288-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO 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-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 ALDH1A1 3088/4885KDM4E 4142/4885DRD4 1847/4885
US-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 ALDH1A1 2176/4885KDM4E 1003/4885DRD4 4537/4885
US-12247045-B2 MAP4K4 inhibitors MAP4K4, MAP4K5, MAP4K1 ALDH1A1 2176/4885KDM4E 1003/4885DRD4 4537/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 ALDH1A1 1426/4885KDM4E 742/4885DRD4 3777/4885
US-20240199621-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 ALDH1A1 1426/4885KDM4E 742/4885DRD4 3777/4885

“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.