SCHEMBL21744522

SCHEMBL21744522

C/C(=C/CO)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.44
GSK3B P49841 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL7746775 0.86 ALDH1A1 (0.59) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL21744806 0.85 ALDH1A1 (0.57) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL24370220 0.84 ALDH1A1 (0.65) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL14553331 0.84 ALDH1A1 (0.65) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL10617332 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL10296009 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL10296125 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL10617346 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL12324215 0.79 ALDH1A1 (0.51) ALDH1A1CA12CA9NPSR1MAPT
SCHEMBL7256187 0.78 CA12 (0.61) ALDH1A1CA12CA9NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 ALDH1A1 1760/4885CA12 3520/4885CA9 3149/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 ALDH1A1 1760/4885CA12 3520/4885CA9 3149/4885

“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.