SCHEMBL5700217

SCHEMBL5700217

CCCCOC(=O)c1cc(I)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.50
TSHR P16473 6/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C9 P11712 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.45
NR1H2 P55055 1/20 0.45

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
SCHEMBL17796190 0.84 GABRA1 (0.56) TSHRCYP1A2ALDH1A1MAPTHPGD
SCHEMBL15842178 0.84 ESR1 (0.54) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL162735 0.84 TSHR (0.50) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL15956090 0.84 TSHR (0.50) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL8408330 0.84 L3MBTL1 (0.55) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL23189019 0.84 TSHR (0.50) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL5700005 0.82 SMN1; SMN2 (0.50) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL5700280 0.82 L3MBTL1 (0.52) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL2360263 0.79 TSHR (0.50) ESR1TSHRCYP1A2CYP2C19CYP3A4
SCHEMBL5700404 0.79 TSHR (0.46) ESR1TSHRCYP1A2CYP2C19CYP3A4

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 ESR1 2278/4885TSHR 2980/4885CYP1A2 2692/4885

“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.