SCHEMBL4859696

SCHEMBL4859696

CC1(C)CC(=O)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRBN Q96SW2 4/20 0.33
MAPT P10636 1/20 0.33
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL847059 0.86 KDM4E (0.36) KDM4ELMNACYP2C19CRBNMAPT
SCHEMBL5573151 0.78 KDM4E (0.32) KDM4ELMNACYP2C19CRBN
SCHEMBL2691041 0.77
SCHEMBL14016355 0.77 SMN1; SMN2 (0.38) KDM4ELMNACYP2C19MAPTSMN1; SMN2
SCHEMBL2706623 0.77 SMN1; SMN2 (0.38) KDM4ELMNACYP2C19MAPTSMN1; SMN2
SCHEMBL15118760 0.74 LMNA (0.35) KDM4ELMNACYP2C19
SCHEMBL578932 0.74 GAA (0.35) CYP2C19CRBNTSHR
SCHEMBL15278726 0.73 TRIM24 (0.41) CRBN
Iodide SCHEMBL6292630 0.72 GAA (0.34) CYP2C19TSHR
Hydrochloric Acid SCHEMBL11333509 0.72 GAA (0.34) CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368717-B1 5-BENZYLIDENE 3-OXA CYCLOPENTANONE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN COSMETIC COMPOSITIONS TO PROTECT THE SKIN AND THE HAIR AGAINST SUN RADIATION L'OREAL (FR) 1993-01-20 EP claimed
CN-108473518-B Bisphosphonic acid compounds 株式会社富士药品 2021-07-06 CN disclosed
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2019-08-20 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP disclosed
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-10-04 US disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
WO-2016042172-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-03-24 WO disclosed
US-8501961-B2 HIV protease inhibitors and methods for using PURDUE RESEARCH FOUNDATION (US) 2013-08-06 US disclosed
EP-0400409-A2 Aromatic copolyetherketones BAYER AG (DE) 1990-12-05 EP disclosed
EP-0393454-A2 Heat-resistant polycarbonate moulding composition BAYER AG (DE) 1990-10-24 EP disclosed
US-4964890-A GAS-PERMEABLE FILMS OF A THERMOPLASTIC POLYETHER HAVING DIHYDROXYBENZOPHENONE AND DIHYDROXYDIPHENYLCYCLOALKANE UNITS; DIMENSIONAL STABILITY; HEAT RESISTANCE; MEMBRANES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
EP-0365917-A1 Polymer mixtures BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365916-A1 Polymer mixtures BAYER AG (DE) 1990-05-02 EP disclosed
EP-0364741-A1 Aromatic polyetherketones BAYER AG (DE) 1990-04-25 EP disclosed
EP-0362603-A1 Aromatic Polyethersulfones BAYER AG (DE) 1990-04-11 EP disclosed
US-4900754-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORP. (US) 1990-02-13 US disclosed
US-4863957-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed
WO-1989005639-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-06-29 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 (4 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-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS S100B, S100P, S100A4 KDM4E 3946/4885LMNA 4388/4885CYP2C19 4377/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 KDM4E 3946/4885LMNA 4388/4885CYP2C19 4377/4885
US-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 KDM4E 3461/4885LMNA 4644/4885CYP2C19 2391/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 KDM4E 3600/4885LMNA 4724/4885CYP2C19 2638/4885

“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.