SCHEMBL21937567

SCHEMBL21937567

CC(C)OCCC(C)OCC(C)(C)OCCc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 6/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HRH1 P35367 2/20 0.36
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL1826440 0.79 CYP1A2 (0.51) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL12530835 0.73 HRH1 (0.50) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL18356052 0.71 HRH1 (0.52) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL14214472 0.69 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL30201139 0.68 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL574013 0.68 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL25610981 0.68 CYP1A2 (0.49) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL8907005 0.68 CYP1A2 (0.49) CYP1A2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL20099849 0.67 HPGD (0.62) CYP1A2ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL740172 0.66 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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 (2 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP1A2 4219/4885ALDH1A1 1981/4885CYP2C19 3954/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP1A2 4219/4885ALDH1A1 1981/4885CYP2C19 3954/4885

“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.