Iodide

Iodide

SCHEMBL515607

CCCCCCCCN1c2ccc(C(=O)O)cc2C(C)(C)C1C.I

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.44
RARG P13631 1/20 0.44
HCAR3 P49019 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G4B P0C869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KDM4A O75164 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G2A P14555 1/20 0.37

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
SCHEMBL28246187 0.99 RARB (0.45) RARBRARGHCAR3TP53TSHR
SCHEMBL29625553 0.99 RARB (0.45) RARBRARGHCAR3TP53TSHR
SCHEMBL28297367 0.89 RARB (0.43) RARBRARGHCAR3TP53TSHR
SCHEMBL3867447 0.84 GNRHR (0.38) RARBRARGHCAR3KDM4EGAA
SCHEMBL28642778 0.83 POLB (0.40) RARBRARGHCAR3KDM4EALDH1A1
SCHEMBL29870539 0.83 POLB (0.40) RARBRARGHCAR3KDM4EALDH1A1
SCHEMBL3868601 0.82 GNRHR (0.39) RARBRARGHCAR3KDM4EGAA
SCHEMBL17838804 0.82 GNRHR (0.39) RARBRARGHCAR3KDM4EGAA
Iodide SCHEMBL27878164 0.81 LMNA (0.35) TSHRKDM4EALDH1A1MEN1KDM4A
Iodide SCHEMBL28003613 0.80 MEN1 (0.38) TP53TSHRALDH1A1MEN1KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637680-B2 Dye-sensitized solar cell, photoelectric conversion element, and dye for use in the solar cell and the element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-01-28 US disclosed
US-20120029206-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT NATIONAL UNIVERSITY CORPORATION KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2012-02-02 US disclosed
EP-2408058-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2012-01-18 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-20120029206-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT CRY1, CRY2, SQLE RARB 480/4885RARG 270/4885HCAR3 2220/4885

“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.