SCHEMBL5700355

SCHEMBL5700355

C=C(C)c1cc(I)ccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
HDAC8 Q9BY41 1/20 0.32
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
KDM4E B2RXH2 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
ERBB2 P04626 1/20 0.32
TP53 P04637 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPK3 P27361 1/20 0.32

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
SCHEMBL5700151 0.79 ALDH1A1 (0.50) ALDH1A1PYGLPYGMKDM4ESMN1; SMN2
SCHEMBL17891731 0.79 PYGL (0.35) ALDH1A1PYGLPYGMKDM4EKDM6B
SCHEMBL14367970 0.77 UHRF1 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL9444934 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL5700127 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL5700329 0.75 MAPT (0.50) ALDH1A1SMN1; SMN2MEN1EGFRLMNA
SCHEMBL22355182 0.75 ASIC3 (0.38) ALDH1A1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL232233 0.72 KDM4E (0.61) ALDH1A1HDAC8PYGLPYGMKDM4E
SCHEMBL30524416 0.72 KDM4E (0.61) ALDH1A1HDAC8PYGLPYGMKDM4E
SCHEMBL18874554 0.72 NOS3 (0.50) ALDH1A1PYGLPYGMKDM4EMEN1

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
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885HDAC8 1180/4885PYGL 3916/4885

“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.