SCHEMBL5487840

SCHEMBL5487840

CCCCCc1cc(C2(c3ccc(O)c(CCCCC)c3)c3ccccc3-c3ccccc32)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
TYR P14679 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
OPRK1 P41145 1/20 0.38
ELANE P08246 2/20 0.38
CTSG P08311 2/20 0.38

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
SCHEMBL9572279 0.99 ESR1 (0.55) ESR1ESR2TYRMEN1MAPT
SCHEMBL383048 0.96 ESR1 (0.57) ESR1ESR2TYRMEN1MAPT
SCHEMBL29842359 0.96 ESR1 (0.57) ESR1ESR2TYRMEN1MAPT
SCHEMBL383400 0.90 ESR1 (0.60) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL29842572 0.90 ESR1 (0.60) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL19334604 0.86 ESR1 (0.56) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL19843860 0.85 ESR1 (0.55) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL29587240 0.84 ESR1 (0.64) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL383087 0.84 ESR1 (0.64) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL14129175 0.82 ESR1 (0.43) ESR1ESR2TYRMEN1MAPT

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-20070255075-A1 Aromatic Diamine And Method For Manufacturing Same JFE CHEMICAL CORPORATION (JP) 2007-11-01 US disclosed
EP-1803705-A1 AROMATIC DIAMINE AND PROCESS FOR PRODUCING THE SAME JFE Chemical Corporation (JP) 2007-07-04 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-20070255075-A1 Aromatic Diamine And Method For Manufacturing Same AOC1, DDC, PADI1 ESR1 1381/4885ESR2 2044/4885TYR 653/4885

“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.