SCHEMBL9849327

SCHEMBL9849327

O=[PH](OCc1ccc(CBr)cc1)OCc1ccc(CBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
IDO1 P14902 2/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4066062 0.83 CES2 (0.38) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL2016123 0.82 IDO1 (0.52) IDO1CA2CA9
SCHEMBL9849210 0.79 TRPA1 (0.38) TRPA1ALDH1A1TSHRIDO1
SCHEMBL742829 0.79 ALDH1A1 (0.46) ALDH1A1TSHRCA2CA9
SCHEMBL8855401 0.79 IDO1 (0.50) ALDH1A1IDO1CA2
SCHEMBL22973726 0.78 TRPA1 (0.36) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL6323663 0.78 CA2 (0.30) CA2CA9
SCHEMBL17061042 0.77 CYP3A4 (0.52) IDO1
SCHEMBL6020749 0.77 CA2 (0.32) CA2CA9
SCHEMBL5432093 0.77 AGXT (0.52) ALDH1A1IDO1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013840-B1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT RICOH CO LTD (JP) 2021-07-28 EP disclosed
EP-3778612-A1 PHOSPHATE DERIVATIVES AND USE THEREOF Zhu, Qing (CN) 2021-02-17 EP disclosed
US-9688706-B2 Electrochromic compound, electrochromic composition, display element, and dimming element RICOH COMPANY, LTD. (JP) 2017-06-27 US disclosed
EP-3013840-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT Ricoh Company, Ltd. (JP) 2016-05-04 EP disclosed
US-20160108072-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT RICOH COMPANY, LTD. (JP) 2016-04-21 US disclosed
WO-2014208775-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT RICOH COMPANY, LTD. (JP) 2014-12-31 WO disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 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-20160108072-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT CHRM4, KCNA4, CHRM1 TRPA1 414/4885ALDH1A1 2033/4885TSHR 1139/4885

“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.