SCHEMBL7082285

SCHEMBL7082285

CCCC(C)NCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL2786006 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHDAC7HDAC8HDAC6
SCHEMBL20377966 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHDAC7HDAC8HDAC6
SCHEMBL20377970 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHDAC7HDAC8HDAC6
SCHEMBL26292991 0.83
SCHEMBL26292989 0.83
SCHEMBL7081089 0.83
SCHEMBL16267383 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHDAC7HDAC8HDAC6
SCHEMBL7348552 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHDAC7HDAC8HDAC6
Potassium Ion SCHEMBL16267382 0.80 CYP3A4 (0.41) ALDH1A1KDM4EHDAC7HDAC8HDAC6
SCHEMBL14856354 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230292741-A1 NOVEL SUPERCOOLING METHODS FOR PRESERVATION OF BIOLOGICAL SAMPLES X-THERMA, INC. (US) 2023-09-21 US disclosed
US-20030118520-A1 Cleaning composition for dental prostheses CLARIANT GMBH (DE) 2003-06-26 US disclosed
US-20020122775-A1 Cleaning compostion for dental prostheses CLARIANT GMBH 2002-09-05 US disclosed
EP-1203576-A1 Denture cleaning composition Clariant GmbH (DE) 2002-05-08 EP 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-20030118520-A1 Cleaning composition for dental prostheses NOXO1, AOX1, AOC1 ALDH1A1 807/4885KDM4E 1548/4885HDAC7 2301/4885
US-20020122775-A1 Cleaning compostion for dental prostheses NOXO1, AOX1, AOC1 ALDH1A1 978/4885KDM4E 1737/4885HDAC7 2724/4885
US-20230292741-A1 NOVEL SUPERCOOLING METHODS FOR PRESERVATION OF BIOLOGICAL SAMPLES PPIG, AQP3, AQP1 ALDH1A1 4823/4885KDM4E 4077/4885HDAC7 2991/4885

“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.