SCHEMBL3324595

SCHEMBL3324595

OCCCOc1cc(I)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 3/20 0.39
CYP2C19 P33261 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15087903 0.81 L3MBTL1 (0.45) ALDH1A1LMNAMAPK1CYP2C19L3MBTL1
SCHEMBL3105572 0.80 CSNK2A1 (0.47) ALDH1A1LMNAMAPK1CYP2C19L3MBTL1
SCHEMBL28089646 0.79 L3MBTL1 (0.50) ALDH1A1LMNAMAPK1CYP2C19L3MBTL1
SCHEMBL16981203 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1CYP2C19L3MBTL1
SCHEMBL14937429 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1CYP2C19L3MBTL1
SCHEMBL29233797 0.79 SLC6A4 (0.40) ALDH1A1LMNACYP2C19L3MBTL1MAPT
SCHEMBL4591980 0.76 S1PR4 (0.47) ALDH1A1LMNAMAPK1L3MBTL1NPSR1
SCHEMBL8955786 0.76 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1CYP2C19L3MBTL1
SCHEMBL4574094 0.75 MAP2K1 (0.39) ALDH1A1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL4684755 0.74 TDP1 (0.56) ALDH1A1CYP2C19L3MBTL1MAPTPOLB

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 ALDH1A1 2012/4885LMNA 1764/4885MAPK1 3285/4885

“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.