SCHEMBL6322738

SCHEMBL6322738

[CH2]CCCCCCCCCCCC1C=CCC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL3292247 0.91
SCHEMBL9214163 0.88 USP2 (0.40) USP2ALDH1A1ALOX15TDP1
SCHEMBL7186562 0.86 USP2 (0.37) USP2ALDH1A1ALOX15TDP1
SCHEMBL6315739 0.86 USP2 (0.42) USP2ALDH1A1ALOX15TDP1
SCHEMBL6014417 0.82
SCHEMBL11788866 0.79 ALDH1A1 (0.57) USP2ALDH1A1ALOX15TDP1
SCHEMBL9209673 0.79 ALDH1A1 (0.57) USP2ALDH1A1ALOX15TDP1
SCHEMBL16398713 0.79 USP2 (0.53) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL11785211 0.79 ALDH1A1 (0.57) USP2ALDH1A1ALOX15TDP1
SCHEMBL16402730 0.79 ALDH1A1 (0.57) USP2ALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061872-B1 ETHYLENEGLYCOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-08-07 EP claimed
EP-0040039-B1 ETHYLENE GLYCOL DERIVATIVES OF AMMONIOETHYL PHOSPHATE, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-08-01 EP claimed
EP-0035375-B1 CARBAMIC ACID ESTERS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1983-08-10 EP claimed
US-20050152959-A1 Use of a lysolipid for the preparation of a composition for transfection of a polynucleotide into a cell TRANSGENE S. A. (FR) 2005-07-14 US disclosed
US-20050112187-A1 Combination product intended for carrying out a cytotoxic treatment, in particular an antitumour treatment, in a mammal TRANSGENE S.A. (FR) 2005-05-26 US disclosed
EP-1465597-A2 USE OF A LYSOLIPID FOR THE PREPARATION OF A COMPOSITION FOR TRANSFECTION OF A POLYNUCLEOTIDE INTO A CELL TRANSGENE S.A. (FR) 2004-10-13 EP disclosed
WO-2003052095-A2 USE OF A LYSOLIPID FOR THE PREPARATION OF A COMPOSITION FOR TRANSFECTION OF A POLYNUCLEOTIDE INTO A CELL TRANSGENE S.A. (FR) 2003-06-26 WO disclosed
EP-1289568-A2 COMBINATION PRODUCT FOR CARRYING OUT A CYTOTOXIC TREATMENT IN A MAMMAL TRANSGENE S.A. (FR) 2003-03-12 EP disclosed
US-20020025941-A1 Combination product intended for carrying out a cytotoxic treatment, in particular an antitumour treatment, in a mammal TRANSGENE S.A. (FR) 2002-02-28 US disclosed
WO-2001095946-A2 COMBINATION PRODUCT FOR CARRYING OUT A CYTOTOXIC TREATMENT IN A MAMMAL TRANSGENE S.A. (FR) 2001-12-20 WO disclosed
US-4935520-A ANTITUMOR AND ANTICARCINOGENIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-19 US disclosed
US-4542219-A ANTITUMOR, AGRICULTURAL FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-09-17 US disclosed
EP-0061872-B1 ETHYLENEGLYCOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-08-07 EP disclosed
EP-0040039-B1 ETHYLENE GLYCOL DERIVATIVES OF AMMONIOETHYL PHOSPHATE, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-08-01 EP disclosed
EP-0108565-A2 Phospholipids, their production and use thereof Takeda Chemical Industries, Ltd. (JP) 1984-05-16 EP disclosed
US-4408052-A FUNGICIDES AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
EP-0035375-B1 CARBAMIC ACID ESTERS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1983-08-10 EP disclosed
EP-0061872-A1 Ethyleneglycol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-10-06 EP disclosed
EP-0040039-A1 Ethylene glycol derivatives of ammonioethyl phosphate, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-11-18 EP disclosed
EP-0035375-A1 Carbamic acid esters, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-09-09 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 (3 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-20050152959-A1 Use of a lysolipid for the preparation of a composition for transfection of a polynucleotide into a cell LPCAT1, LPCAT3, LCLAT1 USP2 3562/4885ALDH1A1 4736/4885ALOX15 771/4885
US-20050112187-A1 Combination product intended for carrying out a cytotoxic treatment, in particular an antitumour treatment, in a mammal TYMP, PHOSPHO1, PIGS USP2 3608/4885ALDH1A1 4291/4885ALOX15 1846/4885
US-20020025941-A1 Combination product intended for carrying out a cytotoxic treatment, in particular an antitumour treatment, in a mammal TYMP, PHOSPHO1, PIGS USP2 3608/4885ALDH1A1 4291/4885ALOX15 1846/4885

“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.