SCHEMBL78148

SCHEMBL78148

CCC(CC)COc1ccccc1CNC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CACNA1G O43497 2/20 0.47
CACNA1H O95180 2/20 0.47
CACNA1I Q9P0X4 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
ADRB2 P07550 1/20 0.43

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
SCHEMBL78090 0.85 CACNA1G (0.58) ALDH1A1CACNA1GCACNA1HCACNA1IMEN1
SCHEMBL2936375 0.83 LMNA (0.59) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL8091198 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL2938380 0.77 KMT2A (0.69) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL5305401 0.76 LMNA (0.60) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL947356 0.76 TAS1R3 (0.56) ALDH1A1CACNA1GCACNA1HCACNA1IMEN1
SCHEMBL10782182 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL8754795 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL27682450 0.72 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRHPGDNPC1
SCHEMBL9156343 0.72 CYP1A2 (0.55) ALDH1A1MEN1KMT2ATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US claimed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US claimed
US-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885CACNA1G 2470/4885CACNA1H 2685/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885CACNA1G 2470/4885CACNA1H 2685/4885

“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.