SCHEMBL4398489

SCHEMBL4398489

[CH2]COC(=O)OCCOCCCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
DGKA P23743 1/20 0.38
RARB P10826 1/20 0.37
CES2 O00748 1/20 0.37
ACHE P22303 1/20 0.37
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL9350594 0.90 TSHR (0.52) TSHRCYP3A4ALDH1A1HPGDTHRB
SCHEMBL302306 0.90 TSHR (0.52) TSHRCYP3A4ALDH1A1HPGDTHRB
SCHEMBL9462492 0.90 TSHR (0.52) TSHRCYP3A4ALDH1A1HPGDTHRB
SCHEMBL9298727 0.88 ALDH1A1 (0.39) TSHRALDH1A1HPGDTHRBDGKA
SCHEMBL1469512 0.88 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1HPGDTHRB
SCHEMBL696985 0.88 ALDH1A1 (0.54) TSHRALDH1A1HPGDATMACHE
SCHEMBL1470088 0.88 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1HPGDTHRB
SCHEMBL10765838 0.85 ALDH1A1 (0.38) TSHRALDH1A1HPGDATMCES2
SCHEMBL1470308 0.84 TSHR (0.54) TSHRCYP3A4ALDH1A1HPGDTHRB
SCHEMBL1470205 0.84 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1HPGDTHRB

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283326-A Coupling azo and cyanine dyes; colorfastness, heat resistance SANDOZ AG (CH) 1994-02-01 US claimed
US-4837269-A FIBER-REACTIVE DISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US claimed
US-4751288-A COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1988-06-14 US claimed
US-4619992-A IMPROVED COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US claimed
US-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US claimed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
US-4619992-A IMPROVED COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
EP-0197471-A1 Azo dyes with thiophene diazo components BASF Aktiengesellschaft (DE) 1986-10-15 EP disclosed
EP-0156216-A1 Isothiazole azo dyestuffs BASF Aktiengesellschaft (DE) 1985-10-02 EP disclosed
EP-0087677-B1 ISOTHIAZOLAZO DYESTUFFS BASF Aktiengesellschaft (DE) 1985-07-17 EP disclosed
US-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0131757-A1 Disazo dyestuffs of the isothiazole series BASF Aktiengesellschaft (DE) 1985-01-23 EP disclosed
EP-0087677-A1 Isothiazolazo dyestuffs BASF Aktiengesellschaft (DE) 1983-09-07 EP disclosed
US-3941791-A OPTICAL BRIGHTENER BASF AKTIENGESELLSCHAFT (DT) 1976-03-02 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 TSHR 3610/4885CYP3A4 2777/4885ALDH1A1 4231/4885

“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.