SCHEMBL21367527

SCHEMBL21367527

CCCOC(OCCC#N)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 4/20 0.35
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
TSHR P16473 3/20 0.35
KCNH2 Q12809 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL16768482 0.93 TSHR (0.38) PBRM1HTTLMNASCN1ASCN2A
SCHEMBL4384773 0.85 HTT (0.44) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL17864867 0.78 LMNA (0.33) LMNA
SCHEMBL16767867 0.77 HRH1 (0.42) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL19214438 0.76 ALDH1A1 (0.47) PBRM1HTTLMNATSHRCYP1A2
SCHEMBL10717745 0.76 LTA4H (0.47) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL14417585 0.76 HTT (0.41) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL9451044 0.74 PTGS2 (0.41) LMNAKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL10761888 0.74 LTA4H (0.47) HTTLMNATSHRKCNH2HTR2A
SCHEMBL28346107 0.74 CHRNB2 (0.44) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284128-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS ADITYA BIRLA CHEMICALS (USA) LLC 2019-09-19 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-20190284128-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 PBRM1 174/4885HTT 1883/4885LMNA 2158/4885

“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.