SCHEMBL5498484

SCHEMBL5498484

[Na]C(c1ccccc1)(c1ccccc1)C([Na])(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL298364 0.79 KCNN4 (0.47) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL11439383 0.76 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL3889625 0.76 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL9245544 0.73 CYP1A2 (0.44) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL3889984 0.73 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
Methyl Alcohol SCHEMBL28881402 0.71 ALDH1A1 (0.44) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL2125552 0.71 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL230628 0.69 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8178 0.69 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL11658410 0.67 MAPK1 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1243608-B1 Process for producing poly(alkylene oxide) and product thereof MITSUI CHEMICALS INC (JP) 2007-04-11 EP disclosed
US-6936684-B2 Poly (alkylene oxide) prepared in the presence of a phosphazenium salt or compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 2005-08-30 US disclosed
US-6664365-B2 Polymerization catalyst MITSUI CHEMICALS & SKC POLYURETHANES INC. (JP) 2003-12-16 US disclosed
US-20030225244-A1 Poly (alkylene oxide) prepared in the presence of a phosphazenium salt or compound MITSUI CHEMICALS, INC. (JP) 2003-12-04 US disclosed
EP-0791600-B1 Phosphazenium salt and preparation process thereof MITSUI CHEMICALS INC (JP) 2003-06-25 EP disclosed
US-20030105361-A1 PROCESS FOR PRODUCING POLY (ALKYLENE OXIDE) IN THE PRESENCE OF A PHOSPHAZENIUM SALT OR COMPOUND MITSUI CHEMICALS & SKC POLYURETHANES INC. (JP) 2003-06-05 US disclosed
EP-1243608-A2 Process for producing poly(alkylene oxide) and product thereof Mitsui Chemicals, Inc. (JP) 2002-09-25 EP disclosed
US-5990352-A A POLYMERIZATION CATALYST FOR FORMING A POLYETHER MITSUI CHEMICALS, INC. (JP) 1999-11-23 US disclosed
EP-0791600-A1 Phosphazenium salt and preparation process thereof, and process for producing poly(alkylene oxide) MITSUI TOATSU CHEMICALS, INC. (JP) 1997-08-27 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 (2 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-20030225244-A1 Poly (alkylene oxide) prepared in the presence of a phosphazenium salt or compound PHOSPHO1, DEGS1, PLCB1 KCNN4 20/4885ALDH1A1 4259/4885TSHR 4288/4885
US-20030105361-A1 PROCESS FOR PRODUCING POLY (ALKYLENE OXIDE) IN THE PRESENCE OF A PHOSPHAZENIUM SALT OR COMPOUND PHOSPHO1, PLCB1, DEGS1 KCNN4 12/4885ALDH1A1 4590/4885TSHR 4274/4885

“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.