SCHEMBL7047715

SCHEMBL7047715

C=CCC(N)(CC=C)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
THRB P10828 2/20 0.41
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 3/20 0.38
BLM P54132 2/20 0.38
CYP2D6 P10635 2/20 0.38
NFKB1 P19838 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.35
LMNA P02545 3/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL9458161 0.79 MEN1 (0.57) KMT2AMEN1ALDH1A1CYP1A2THRB
SCHEMBL7993963 0.79 MEN1 (0.57) KMT2AMEN1ALDH1A1CYP1A2THRB
Bicarbonate SCHEMBL5407657 0.79 HTT (0.41) KMT2AMEN1ALDH1A1ABCC4MAPT
Bicarbonate SCHEMBL5407661 0.79 HTT (0.41) KMT2AMEN1ALDH1A1ABCC4MAPT
SCHEMBL7520399 0.78 KMT2A (0.52) KMT2AMEN1ALDH1A1CYP1A2THRB
Oxalic Acid SCHEMBL11437762 0.77 HTT (0.39) ALDH1A1ABCC4MAPTTSHRHTT
Hydrochloric Acid SCHEMBL28384994 0.76 KMT2A (0.50) KMT2AMEN1ALDH1A1CYP1A2THRB
SCHEMBL15447196 0.74 NAALAD2 (0.39) KMT2AMEN1ALDH1A1CYP1A2THRB
SCHEMBL19555034 0.72 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CYP1A2THRB
SCHEMBL4534531 0.72 TSHR (0.33) KMT2AMEN1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689890-B2 Efficient lactam synthesis UNIVERSITY OF SOUTH FLORIDA 2004-02-10 US disclosed
US-20030171599-A1 Efficient lactam synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-11 US disclosed
US-20030004337-A1 Efficient lactam synthesis SOUTH FLORIDA, UNIVERSITY OF 2003-01-02 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-20030004337-A1 Efficient lactam synthesis COASY, RCE1, DHPS KMT2A 197/4885MEN1 38/4885ALDH1A1 2347/4885
US-20030171599-A1 Efficient lactam synthesis COASY, APH1A, CIAPIN1 KMT2A 126/4885MEN1 74/4885ALDH1A1 2226/4885

“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.