SCHEMBL19519643

SCHEMBL19519643

CC(C)(C)CCC(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.43
NAAA Q02083 1/20 0.42
MEN1 O00255 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
SELP P16109 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
FAAH O00519 1/20 0.41
KCNK3 O14649 1/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10730053 0.89 ALDH1A1 (0.46) ALDH1A1GAANAAAMEN1KMT2A
SCHEMBL19085866 0.88 CNR1 (0.47) CNR1ALDH1A1NAAAMEN1BLM
SCHEMBL17471845 0.86 SIGMAR1 (0.50) ALDH1A1NAAAMEN1KMT2AFAAH
SCHEMBL28607819 0.84 SELP (0.51) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL5169773 0.83 CNR1 (0.42) CNR1ALDH1A1GAANAAAMEN1
SCHEMBL15693100 0.83 CASP2 (0.55) ALDH1A1NAAAMEN1KMT2AFAAH
SCHEMBL13374399 0.83 CASP2 (0.45) CNR1ALDH1A1NAAAMEN1KMT2A
SCHEMBL16154442 0.83 KMT2A (0.46) CNR1ALDH1A1GAANAAAMEN1
SCHEMBL11433061 0.82 RECQL (0.40) ALDH1A1GAANAAAFAAHHPGD
SCHEMBL25083434 0.81 KMT2A (0.52) ALDH1A1GAANAAAMEN1KMT2A

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-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 US disclosed
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-19 US disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 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 (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-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase CCR8, CDK8, CHD8 CNR1 67/4885ALDH1A1 2902/4885GAA 2398/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 CNR1 4288/4885ALDH1A1 1271/4885GAA 2811/4885
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 CNR1 67/4885ALDH1A1 2902/4885GAA 2398/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CNR1 4288/4885ALDH1A1 1271/4885GAA 2811/4885

“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.