SCHEMBL77637

SCHEMBL77637

CC(C)=CCSc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CYP3A4 P08684 3/20 0.47
LMNA P02545 3/20 0.47
GMNN O75496 2/20 0.47
POLB P06746 2/20 0.47
NFKB1 P19838 2/20 0.47
RECQL P46063 2/20 0.47
BLM P54132 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.47
ICMT O60725 1/20 0.47
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CDK2 P24941 1/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 2/20 0.38
P4HB P07237 1/20 0.38

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
SCHEMBL6033430 0.78 HTR7 (0.49) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL77770 0.78 MEN1 (0.47) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL77771 0.78 MEN1 (0.47) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL79979 0.78 MEN1 (0.41) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL4439793 0.76 LMNA (0.47) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL11333008 0.75 P4HB (0.40) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL3790815 0.74 POLB (0.76) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL1128730 0.74 P4HB (0.42) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL8397211 0.73 LMNA (0.45) MAPTCYP3A4LMNAGMNNPOLB
SCHEMBL68951 0.73 HSPA5 (0.46) MAPTCYP3A4LMNAGMNNPOLB

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 5 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 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 MAPT 1772/4885CYP3A4 106/4885LMNA 3635/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT MAPT 1772/4885CYP3A4 106/4885LMNA 3635/4885

“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.