SCHEMBL7684047

SCHEMBL7684047

CCCCCCCCCCCCC(C)(C(=O)Cl)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
FDPS P14324 10/20 0.45
SMPD1 P17405 2/20 0.45
CES2 O00748 1/20 0.45

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
SCHEMBL7687673 1.00 GGPS1 (0.48) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL7684614 1.00 GGPS1 (0.48) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL7679775 0.98 GGPS1 (0.45) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL9015656 0.83 GGPS1 (0.45) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL9015600 0.83 GGPS1 (0.45) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL9015662 0.83 GGPS1 (0.45) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL25078902 0.82 ALDH1A1 (0.48) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL8648600 0.82 ALDH1A1 (0.48) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL25303536 0.82 ALDH1A1 (0.48) GGPS1ALDH1A1TSHRFDPSSMPD1
SCHEMBL10830500 0.82 ALDH1A1 (0.48) GGPS1ALDH1A1TSHRFDPSSMPD1

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
US-5047563-A Ionophores MILES INC. (US) 1991-09-10 US claimed
EP-0306802-B1 CHIRAL CROWN ETHERS MILES INC. (US) 1991-05-15 EP claimed
EP-0306802-A1 Chiral crown ethers MILES INC. (US) 1989-03-15 EP claimed
US-20020028970-A1 SYNTHESIS OF A TETRAAMIDO MACROCYCLE LIGAND FROM A NOVEL DIAMIDODIOL THE CLOROX COMPANY 2002-03-07 US disclosed
WO-2001002343-A1 IMPROVED SYNTHESIS OF A TETRAAMIDO MACROCYCLE LIGAND FROM A NOVEL DIAMIDODIOL THE CLOROX COMPANY (US) 2001-01-11 WO disclosed
US-5133934-A Enantiomorphs of bis/12-crown-4-methyl/ dialkyl malonate, a carrier and ionophore MILES INC. (US) 1992-07-28 US disclosed
US-5047563-A Ionophores MILES INC. (US) 1991-09-10 US disclosed
EP-0306802-B1 CHIRAL CROWN ETHERS MILES INC. (US) 1991-05-15 EP disclosed
EP-0306802-A1 Chiral crown ethers MILES INC. (US) 1989-03-15 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-20020028970-A1 SYNTHESIS OF A TETRAAMIDO MACROCYCLE LIGAND FROM A NOVEL DIAMIDODIOL DDT, DDC, MLYCD GGPS1 2284/4885ALDH1A1 370/4885TSHR 1922/4885

“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.