SCHEMBL13664453

SCHEMBL13664453

CC(=O)c1ccc(I)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KCNJ1 P48048 2/20 0.45
P4HTM Q9NXG6 2/20 0.38
P4HA1 P13674 1/20 0.38
MIF P14174 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
KMT2A Q03164 2/20 0.33
TPMT P51580 1/20 0.33
STK17B O94768 1/20 0.33
MEN1 O00255 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
SCHEMBL14838812 0.84 EGLN1 (0.42) ALDH1A1KCNJ1STK17BMAPTHIF1A
SCHEMBL3630126 0.80 P4HTM (0.59) ALDH1A1P4HTMP4HA1MIFMAPK1
SCHEMBL31092016 0.78 KMT2A (0.53) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL3376769 0.78 KMT2A (0.53) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL31354658 0.78 MAPK1 (0.65) ALDH1A1MAPK1KDM4EL3MBTL1GABRA1
SCHEMBL18436544 0.78 PIP5K1C (0.43) ALDH1A1MAPK1KDM4EKMT2AMEN1
SCHEMBL20254709 0.78 PIK3CD (0.43) ALDH1A1P4HTMP4HA1MIFMAPK1
SCHEMBL5845581 0.78 MAPK1 (0.65) ALDH1A1MAPK1KDM4EL3MBTL1GABRA1
SCHEMBL30443990 0.77 ALDH1A1 (0.50) ALDH1A1KCNJ1P4HTMP4HA1MIF
SCHEMBL2642723 0.76 ALDH1A1 (0.48) ALDH1A1KCNJ1P4HTMP4HA1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 WO disclosed
EP-2793311-B1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND FUJIFILM CORP (JP) 2019-06-19 EP disclosed
WO-2009126672-A2 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2009-10-15 WO 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-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 ALDH1A1 149/4885KCNJ1 4083/4885P4HTM 1491/4885

“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.