SCHEMBL635368

SCHEMBL635368

CC(N)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
SSTR4 P31391 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL1088602 0.97 ALDH1A1 (0.35) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL5626467 0.88 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL5651237 0.85 SSTR4 (0.33) MEN1KMT2ALMNAEPHX1SSTR4
SCHEMBL12805667 0.83
SCHEMBL28813723 0.82 EPHX1 (0.31) EPHX1
SCHEMBL23059323 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL672134 0.81 ALDH1A1 (0.33) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL22727310 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL21539285 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL670618 0.81 ALDH1A1 (0.33) ALDH1A1TDP1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247338-A N-amino-alpha-amino acid compound and synthesis method thereof 四川大学 2023-12-19 CN claimed
CN-114380712-B Synthesis method of alpha-amino amide compound 南京工业大学 2023-05-09 CN claimed
CN-115286657-A Continuous production method of hydroxymethyl phosphonate 湖北理工学院 2022-11-04 CN claimed
CN-114478218-A Preparation method of 1, 3-diketone methylated compound 南京工业大学 2022-05-13 CN claimed
CN-114380712-A Synthetic method of alpha-amino amide compound 南京工业大学 2022-04-22 CN claimed
CN-108675937-B Synthetic method of alpha-amino acid 南京工业大学 2021-02-23 CN claimed
CN-110128233-B Preparation method of deuterated alcohol compound 南京工业大学 2021-02-02 CN claimed
EP-3077376-B1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-16 EP claimed
US-9598397-B2 Process for making reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-21 US claimed
US-20160297794-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 US claimed
WO-2007124494-A2 ENANTIOSELECTVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 WO claimed
US-7102046-B2 By reaction of haloaromatics or arylsulfonates with olefins in presence of palladium catalyst, bulky nitrogen base and salt BAYER AKTIENGESELLSCHAFT (DE) 2006-09-05 US claimed
US-20050165239-A1 Process for stabilizing 4-halopyridines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-28 US claimed
US-6858756-B2 Arylation of olefins BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 US claimed
US-20030114707-A1 Arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-19 US claimed
US-20030105353-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-05 US claimed
EP-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP claimed
EP-0827953-A2 Method for producing N-acyl carbamate Nippon Paint Co., Ltd. (JP) 1998-03-11 EP claimed
US-4853481-A FRIEDEL-CRAFTS CATALYSIS IN PRESENCE OF TERTIARY OR DIAMINES; BASF AKTIENGESELLSCHAFT (DE) 1989-08-01 US claimed
US-4083861-A Unsaturated silicon organic compounds containing keto groups DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1978-04-11 US claimed

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-20030114707-A1 Arylation of olefins AHR, YAP1, ARNT ALDH1A1 329/4885TDP1 2464/4885MEN1 3965/4885
US-20050165239-A1 Process for stabilizing 4-halopyridines KCNH1, NISCH, KCNH2 ALDH1A1 342/4885TDP1 2033/4885MEN1 1526/4885
US-20030105353-A1 Process for the arylation of olefins NEK6, JUN, AOC2 ALDH1A1 1167/4885TDP1 2900/4885MEN1 3804/4885
US-20160297794-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, TYMS ALDH1A1 860/4885TDP1 146/4885MEN1 4741/4885

“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.