SCHEMBL16129111

SCHEMBL16129111

CC(C)(C)OC(=O)NCCCCCCS

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
CA12 O43570 6/20 0.56
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 6/20 0.56
EPHX1 P07099 2/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DRD2 P14416 3/20 0.42

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
SCHEMBL19460978 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL25736657 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22521163 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL2675254 0.98 TDP1 (0.68) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL11052379 0.92 TDP1 (0.65) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL20360657 0.91 TDP1 (0.59) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3025184 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL136815 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL5162656 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL137629 0.90 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327427-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-10-03 US disclosed
CN-118373985-A Cationic antibacterial clustered peptide with spiral structure and preparation method and application thereof 苏州大学 2024-07-23 CN disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
WO-2022087456-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO disclosed
US-20170312368-A1 HYDROGELS WITH BIODEGRADABLE CROSSLINKING PROLYNX LLC (US) 2017-11-02 US disclosed
US-9649385-B2 Hydrogels with biodegradable crosslinking PROLYNX LLC (US) 2017-05-16 US disclosed
US-20140288190-A1 HYDROGELS WITH BIODEGRADABLE CROSSLINKING PROLYNX LLC (US) 2014-09-25 US 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 (3 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-20140288190-A1 HYDROGELS WITH BIODEGRADABLE CROSSLINKING HAAO, MMP1, SI TDP1 446/4885MAOA 565/4885MAOB 731/4885
US-20170312368-A1 HYDROGELS WITH BIODEGRADABLE CROSSLINKING IDUA, APEH, GUSB TDP1 326/4885MAOA 361/4885MAOB 311/4885
US-20240327427-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN2, PSEN1, CHAT TDP1 471/4885MAOA 134/4885MAOB 200/4885

“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.