SCHEMBL3313068

SCHEMBL3313068

CC(C)(C)NCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 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
SCHEMBL18555657 1.00 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL27760960 1.00 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL18555820 1.00 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL3317690 0.97 TDP1 (0.42) TDP1ALDH1A1LMNAHSD17B10MEN1
Water SCHEMBL3307446 0.95 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL2000597 0.89
Formic Acid SCHEMBL27760962 0.89 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10MEN1
Bromide SCHEMBL21248489 0.86 PTGS1 (0.36) TDP1ALDH1A1HRH4HRH3CA1
Water SCHEMBL3302088 0.86 PTGS1 (0.36) TDP1ALDH1A1HRH4HRH3CA1
SCHEMBL1276622 0.86 HRH4 (0.45) ALDH1A1HRH4HRH3POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117902991-A Sterically hindered amine, desulfurization solvent and preparation method 中国石油天然气股份有限公司 2024-04-19 CN disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-11584748-B2 Spirocyclic compounds C4 THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-20230019060-A1 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT C4 THERAPEUTICS, INC. (US) 2023-01-19 US disclosed
US-11524949-B2 Degraders and Degrons for targeted protein degradation C4 THERAPEUTICS, INC. (US) 2022-12-13 US disclosed
US-20210032245-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2021-02-04 US disclosed
US-8404900-B2 Absorbents for separating acidic gases KOREA ELECTRIC POWER CORPORATION (KR) 2013-03-26 US disclosed
US-20100105551-A1 ABSORBENTS FOR SEPARATING ACIDIC GASES KOREA ELECTRIC POWER CORPORATION (KR) 2010-04-29 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 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 (7 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-20230019060-A1 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT CRBN, MDM2, RBX1 TDP1 3277/4885ALDH1A1 2742/4885LMNA 3178/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 TDP1 3828/4885ALDH1A1 1971/4885LMNA 2437/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 TDP1 1242/4885ALDH1A1 3735/4885LMNA 2540/4885
US-20210032245-A1 SPIROCYCLIC COMPOUNDS CRBN, RBX1, XIAP TDP1 3781/4885ALDH1A1 2000/4885LMNA 2119/4885
US-11524949-B2 Degraders and Degrons for targeted protein degradation STUB1, MDM2, USP30 TDP1 1242/4885ALDH1A1 3735/4885LMNA 2540/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 TDP1 2106/4885ALDH1A1 1394/4885LMNA 4760/4885
US-11584748-B2 Spirocyclic compounds CRBN, RBX1, XIAP TDP1 3781/4885ALDH1A1 2000/4885LMNA 2119/4885

“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.