SCHEMBL9308691

SCHEMBL9308691

CCCCC(=O)N(C)C.[NaH]

nearest known ligand 0.95

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.95
CES1 P23141 6/20 0.50
CES2 O00748 5/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA4 P43681 1/20 0.50
TP53 P04637 1/20 0.46
CA1 P00915 1/20 0.44
LMNA P02545 1/20 0.44
KDM5A P29375 6/20 0.41
KDM4C Q9H3R0 6/20 0.41
AKR1B1 P15121 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PHF8 Q9UPP1 2/20 0.39

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
SCHEMBL9210592 0.97
SCHEMBL827843 0.97
Hydrochloric Acid SCHEMBL14895307 0.95 ALDH1A1 (0.95) ALDH1A1CES1CES2CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL29184598 0.95 ALDH1A1 (0.95) ALDH1A1CES1CES2CHRNB2CHRNB4
SCHEMBL630064 0.90 ALDH1A1 (0.85) ALDH1A1CES1CES2CHRNB2CHRNB4
Hexadecanoic Acid Dimethylamide SCHEMBL148603 0.87 ALDH1A1 (0.81) ALDH1A1CES1CES2AKR1B1
SCHEMBL2486021 0.87 ALDH1A1 (0.81) ALDH1A1CES1CES2AKR1B1
SCHEMBL740728 0.87 ALDH1A1 (0.81) ALDH1A1CES1CES2AKR1B1
SCHEMBL22406917 0.87 ALDH1A1 (0.81) ALDH1A1CES1CES2AKR1B1
SCHEMBL2090517 0.87 ALDH1A1 (0.81) ALDH1A1CES1CES2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284975-A Method of preparing α-d-phenylalkylbenzyl carbinol MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-02-08 US claimed
US-20200315929-A1 OIL-IN-WATER TYPE EMULSION SOLID COSMETIC SHISEIDO COMPANY, LTD. (JP) 2020-10-08 US disclosed
US-5284975-A Method of preparing α-d-phenylalkylbenzyl carbinol MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-02-08 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 (1 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-20200315929-A1 OIL-IN-WATER TYPE EMULSION SOLID COSMETIC CUTA, MUC1, SMARCA1 ALDH1A1 89/4885CES1 549/4885CES2 1003/4885

“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.