SCHEMBL17200990

SCHEMBL17200990

COCCOCCOCCOc1ccc2c(ccc3cc(C(=O)O)c(=O)oc32)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
GPR35 Q9HC97 7/20 0.48
SLC16A3 O15427 4/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CA3 P07451 2/20 0.46
CA6 P23280 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA4 P22748 2/20 0.46
MAOA P21397 2/20 0.41
MAOB P27338 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
SCHEMBL17211958 0.83 ALDH1A1 (0.46) ALDH1A1HPGDLMNAKDM4EMAOB
SCHEMBL17211955 0.83 ALDH1A1 (0.46) ALDH1A1HPGDLMNAKDM4EMAOA
SCHEMBL6416124 0.80 KDM4E (0.71) ALDH1A1HPGDGPR35SLC16A3CA12
SCHEMBL6418716 0.80 SLC16A3 (0.71) ALDH1A1HPGDSLC16A3CA12CA1
SCHEMBL1315192 0.73 PPARD (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL30110285 0.71 MAOB (0.71) ALDH1A1HPGDSLC16A3CA12CA1
SCHEMBL31206473 0.70 MAOB (0.60) ALDH1A1HPGDSLC16A3CA12CA2
SCHEMBL6420522 0.70 MAOB (0.60) ALDH1A1HPGDSLC16A3CA12CA2
SCHEMBL6420525 0.70 MAOB (0.60) ALDH1A1HPGDSLC16A3CA12CA1
SCHEMBL6416333 0.70 MAOB (0.57) ALDH1A1HPGDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248202-B2 Two-photon probe for detecting copper(II) ion and quantitative estimation of copper(II) ion in human tissue using the same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2016-02-02 US disclosed
US-9248202-B2 Two-photon probe for detecting copper(II) ion and quantitative estimation of copper(II) ion in human tissue using the same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2016-02-02 US disclosed
US-9248202-B2 Two-photon probe for detecting copper(II) ion and quantitative estimation of copper(II) ion in human tissue using the same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2016-02-02 US disclosed
US-20150306252-A1 TWO-PHOTON PROBE FOR DETECTING COPPER(II) ION AND QUANTITATIVE ESTIMATION OF COPPER(II) ION IN HUMAN TISSUE USING THE SAME SFC CO., LTD (KP) 2015-10-29 US disclosed
US-20150306252-A1 TWO-PHOTON PROBE FOR DETECTING COPPER(II) ION AND QUANTITATIVE ESTIMATION OF COPPER(II) ION IN HUMAN TISSUE USING THE SAME SFC CO., LTD (KP) 2015-10-29 US disclosed
US-20150306252-A1 TWO-PHOTON PROBE FOR DETECTING COPPER(II) ION AND QUANTITATIVE ESTIMATION OF COPPER(II) ION IN HUMAN TISSUE USING THE SAME SFC CO., LTD (KP) 2015-10-29 US 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-20150306252-A1 TWO-PHOTON PROBE FOR DETECTING COPPER(II) ION AND QUANTITATIVE ESTIMATION OF COPPER(II) ION IN HUMAN TISSUE USING THE SAME SLC30A5, SLC47A2, SLC30A6 ALDH1A1 2211/4885HPGD 3435/4885LMNA 3486/4885

“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.