SCHEMBL11368551

SCHEMBL11368551

CCCC(CC#N)CCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL28520747 0.97 TSHR (0.43) TSHRALDH1A1CA12CA1CA2
Boric Acid SCHEMBL27917268 0.90 TSHR (0.35) TSHRALDH1A1
SCHEMBL6718168 0.90 TSHR (0.46) TSHRALDH1A1CA2
SCHEMBL7983058 0.89
SCHEMBL30818337 0.86 LMNA (0.46) TSHR
SCHEMBL21373707 0.85
SCHEMBL21373708 0.85
SCHEMBL13890633 0.84 TSHR (0.36) TSHR
SCHEMBL27999858 0.83 TSHR (0.34) TSHR
SCHEMBL366646 0.81 TSHR (0.48) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113841281-A Electrolyte solution, electrochemical device, and electronic device 宁德新能源科技有限公司 2021-12-24 CN claimed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed
CN-113841281-A Electrolyte solution, electrochemical device, and electronic device 宁德新能源科技有限公司 2021-12-24 CN disclosed
US-7557111-B2 Substituted thieno[3,2-d]pyrimidines as CRF receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-07 US disclosed
US-20070254898-A1 Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-4246282-A ω-Dialkylalkanoic acid derivatives used to induce antianoxic activity LABAZ (FR) 1981-01-20 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-20070254898-A1 Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group HRH2, HRH3, HRH4 TSHR 125/4885ALDH1A1 3445/4885CA12 4718/4885

“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.