Sugi Predict

Sugi Predict / Compounds / SCHEMBL1915657

SCHEMBL1915657

SCHEMBL1915657

O=Cc1ccc(C(CCCCC(=O)O)(C(=O)O)c2ccc(C=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34

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
SCHEMBL1916098 0.98 KMT2A (0.41) KMT2AALDH1A1PPARAMAPK1ESR1
SCHEMBL1915397 0.95 KMT2A (0.39) KMT2AALDH1A1PPARAMAPK1ESR1
SCHEMBL1916607 0.89 ALDH1A1 (0.41) KMT2AALDH1A1ESR1CYP3A4ESR2
SCHEMBL20564637 0.82 HDAC3 (0.47) ALDH1A1PPARAMAPK1LMNAHDAC3
SCHEMBL4214690 0.81 ESR1 (0.51) ALDH1A1MAPK1ESR1CYP3A4ESR2
SCHEMBL4017371 0.81 CHEK1 (0.38) KMT2AALDH1A1MAPK1ESR1CYP3A4
SCHEMBL10776965 0.81 MAPK1 (0.44) KMT2AALDH1A1PPARAMAPK1ESR1
SCHEMBL4212101 0.81 ESR1 (0.51) ALDH1A1MAPK1ESR1CYP3A4ESR2
SCHEMBL3175352 0.80 HDAC3 (0.50) ALDH1A1MAPK1LMNAHDAC3HDAC4
SCHEMBL20564310 0.80 HDAC3 (0.50) ALDH1A1MAPK1LMNAHDAC3HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018140-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKING AGENTS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES DICKMEIS MARCUS (DE) 2013-01-17 — — US disclosed
EP-2516532-A2 POLYOXAZIRIDINES AND USE THEREOF AS A CROSS-LINKING AGENT, ESPECIALLY IN COATING MATERIALS AND ADHESIVES Dickmeis, Marcus (DE) 2012-10-31 — — EP disclosed
EP-2516531-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKERS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES Dickmeis, Marcus (DE) 2012-10-31 — — EP disclosed
WO-2011085793-A2 POLYOXAZIRIDINES AND USE THEREOF AS A CROSS-LINKING AGENT, ESPECIALLY IN COATING MATERIALS AND ADHESIVES DICKMEIS MARCUS (DE) 2011-07-21 — — WO disclosed
WO-2011076392-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKERS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES DICKMEIS MARCUS (DE) 2011-06-30 — — WO 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-20130018140-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKING AGENTS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES PNN, PARN, NCLN KMT2A 631/4885ALDH1A1 1538/4885PPARA 2830/4885

“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.