SCHEMBL19794294

SCHEMBL19794294

CCCOCCn1ccnc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.39
TLR8 Q9NR97 2/20 0.39
FDPS P14324 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
SCHEMBL8678546 0.93 KMT2A (0.60) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL11145179 0.88 ALDH1A1 (0.56) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL5438077 0.87 ALDH1A1 (0.59) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL18010008 0.84 KMT2A (0.51) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL21729522 0.84 KMT2A (0.55) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL82664 0.81
SCHEMBL754722 0.79 KMT2A (0.58) ALDH1A1KMT2APOLBTSHRCA12
Iodide SCHEMBL5538014 0.79 ALDH1A1 (0.74) ALDH1A1KMT2APOLBTSHRCA12
Ammonia Solution, Strong SCHEMBL14645160 0.79 ALDH1A1 (0.74) ALDH1A1KMT2APOLBTSHRCA12
Iodide SCHEMBL876466 0.79 ALDH1A1 (0.74) ALDH1A1KMT2APOLBTSHRCA12

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-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2018-01-25 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-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS NISCH, INMT, GMPS ALDH1A1 2670/4885KMT2A 770/4885POLB 715/4885

“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.