SCHEMBL3832253

SCHEMBL3832253

C/C(=C/c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.62
ESR1 P03372 2/20 0.53
ESR2 Q92731 1/20 0.53
CYP1B1 Q16678 1/20 0.49
PTGS2 P35354 4/20 0.47
MAPT P10636 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NQO2 P16083 2/20 0.44
AKR1C3 P42330 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CYP19A1 P11511 2/20 0.43
CYP2C9 P11712 1/20 0.43
TRPA1 O75762 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL3832249 1.00 PTGS1 (0.62) PTGS1ESR1ESR2CYP1B1PTGS2
SCHEMBL3832255 1.00 PTGS1 (0.62) PTGS1ESR1ESR2CYP1B1PTGS2
SCHEMBL3827498 0.92 PTGS1 (0.58) PTGS1ESR1ESR2CYP1B1PTGS2
SCHEMBL3827490 0.92 PTGS1 (0.58) PTGS1ESR1ESR2CYP1B1PTGS2
SCHEMBL3827495 0.92 PTGS1 (0.58) PTGS1ESR1ESR2CYP1B1PTGS2
SCHEMBL11835186 0.90 PTGS1 (0.69) PTGS1ESR1ESR2PTGS2NQO2
SCHEMBL7803180 0.89 ESR1 (0.64) PTGS1ESR1ESR2PTGS2MAPT
SCHEMBL726320 0.85 ESR1 (0.58) PTGS1ESR1ESR2PTGS2NQO2
SCHEMBL1225178 0.85 ESR1 (0.58) PTGS1ESR1ESR2PTGS2NQO2
SCHEMBL726321 0.85 ESR1 (0.58) PTGS1ESR1ESR2PTGS2NQO2

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 PTGS1 2077/4885ESR1 1616/4885ESR2 1548/4885

“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.