SCHEMBL10307404

SCHEMBL10307404

CCCC[n+]1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.59
LMNA P02545 2/20 0.59
APAF1 O14727 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RAD52 P43351 1/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
XBP1 P17861 1/20 0.59
HTT P42858 1/20 0.59
BLM P54132 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 1/20 0.46
RGS12 O14924 1/20 0.44
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43

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
Bromide SCHEMBL17906580 0.98 HSP90AA1 (0.62) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
Iodide SCHEMBL1789963 0.98 HSP90AA1 (0.58) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
SCHEMBL14387168 0.94 HSP90AA1 (0.68) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
SCHEMBL31023557 0.94 HSP90AA1 (0.68) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
Iodide SCHEMBL1788625 0.92 HSP90AA1 (0.67) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
Water SCHEMBL9000149 0.92 HSP90AA1 (0.67) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
Iodide SCHEMBL1787088 0.92 HSP90AA1 (0.67) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
SCHEMBL10307406 0.90 HSP90AA1 (0.51) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
Iodide SCHEMBL5325008 0.88 HSP90AA1 (0.50) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52
SCHEMBL14075499 0.88 LMNA (0.56) HSP90AA1LMNAAPAF1SMN1; SMN2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN claimed
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN disclosed
US-9962344-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9962344-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2017-01-26 US disclosed
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2017-01-26 US disclosed
US-9463170-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2016-10-11 US disclosed
US-20150265555-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2015-09-24 US disclosed
US-9050292-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-9050292-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
US-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2012-07-12 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 (4 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-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 HSP90AA1 2904/4885LMNA 3720/4885APAF1 2119/4885
US-20150265555-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 HSP90AA1 2904/4885LMNA 3720/4885APAF1 2119/4885
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 HSP90AA1 2904/4885LMNA 3720/4885APAF1 2119/4885
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 HSP90AA1 2904/4885LMNA 3720/4885APAF1 2119/4885

“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.