SCHEMBL6317614

SCHEMBL6317614

[CH2]CCCCCCCCCCCCCCCCc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HRH1 P35367 1/20 0.47
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRM2 P08172 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL1611161 1.00 IGF1R (0.52) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL11403376 1.00 IGF1R (0.52) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL1610894 1.00 IGF1R (0.52) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL7732435 1.00 IGF1R (0.52) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL1119421 1.00 IGF1R (0.52) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL1119390 0.98 IGF1R (0.53) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL1119426 0.91 CYP1A2 (0.52) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL22092404 0.88 CYP1A2 (0.50) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL10571160 0.88 IGF1R (0.61) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL6546754 0.85 IGF1R (0.64) IGF1RALOX15CYP1A2CYP2A6TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4565865-A ANTITUMOR AGENTS, MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-01-21 US claimed
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
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
US-4935520-A ANTITUMOR AND ANTICARCINOGENIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-19 US disclosed
US-4565865-A ANTITUMOR AGENTS, MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-01-21 US disclosed
US-4551532-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-11-05 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-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 IGF1R 4757/4885ALOX15 771/4885CYP1A2 4868/4885
US-20050112187-A1 Combination product intended for carrying out a cytotoxic treatment, in particular an antitumour treatment, in a mammal TYMP, PHOSPHO1, PIGS IGF1R 3528/4885ALOX15 1846/4885CYP1A2 4831/4885
US-20020025941-A1 Combination product intended for carrying out a cytotoxic treatment, in particular an antitumour treatment, in a mammal TYMP, PHOSPHO1, PIGS IGF1R 3528/4885ALOX15 1846/4885CYP1A2 4831/4885

“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.