SCHEMBL84023

SCHEMBL84023

CCCCCc1ccc2cc(N(C)CC(=O)O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
OXER1 Q8TDS5 2/20 0.46
PPARA Q07869 3/20 0.45
KAT8 Q9H7Z6 2/20 0.45
CYP1A2 P05177 1/20 0.44
PPARG P37231 2/20 0.44
S1PR1 P21453 1/20 0.44
PLA2G2A P14555 1/20 0.43
BLM P54132 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.42
RARB P10826 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL23674307 0.81 OXER1 (0.45) ALDH1A1OXER1PPARAKAT8PPARG
SCHEMBL8169299 0.81 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10THRBRARB
Hydrochloric Acid SCHEMBL3334465 0.80 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10THRBRARB
SCHEMBL1901448 0.79 SIGMAR1 (0.51) ALDH1A1SIGMAR1HSD17B10BCHE
SCHEMBL10080494 0.78 ALDH1A1 (0.72) ALDH1A1OXER1PPARAKAT8CYP1A2
SCHEMBL23881610 0.78 SIGMAR1 (0.50) ALDH1A1PPARAKAT8SIGMAR1HSD17B10
Alanine SCHEMBL4410773 0.78 S1PR1 (0.43) ALDH1A1PPARAKAT8PPARGS1PR1
SCHEMBL23112792 0.78 THRA (0.51) ALDH1A1CYP1A2PLA2G2AHPGDHSD17B10
SCHEMBL29766328 0.78 THRA (0.51) ALDH1A1CYP1A2PLA2G2AHPGDHSD17B10
Alanine SCHEMBL4410771 0.78 S1PR1 (0.43) ALDH1A1PPARAKAT8PPARGS1PR1

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
US-8129137-B2 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2012-03-06 US disclosed
EP-2119456-B1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe UNIV IND & ACAD COLLABORATION (KR) 2011-07-20 EP disclosed
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SFC CO., LTD. (KR) 2009-11-19 US disclosed
EP-2119456-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe Korea University Industrial & Academic Collaboration Foundation (KR) 2009-11-18 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-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SLC39A3, SLC30A7, SLC39A7 ALDH1A1 3815/4885OXER1 237/4885PPARA 4321/4885

“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.