SCHEMBL817645

SCHEMBL817645

CCCCCCCCCCCC[C@H](C(=O)OC)C(=O)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.56
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
ABCB1 P08183 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
FFAR1 O14842 1/20 0.40
BIRC2 Q13490 1/20 0.39
EPHX1 P07099 2/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL817646 1.00 ZDHHC7 (0.56) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL820645 0.93 CA2 (0.53) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL486955 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL16832270 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL8991586 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL2944230 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL2293185 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL8584856 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL7543085 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2
SCHEMBL8816706 0.87 ZDHHC7 (0.66) ZDHHC7CA2CA1ABCB1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275838-A1 METHOD FOR OBTAINING CINATRINS C3 AND C1 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2011-11-10 US disclosed
CN-102066350-A Method for obtaining cinatrins C3 and C1 CONSEJO SUPERIOR INVESTIGACION 2011-05-18 CN disclosed
EP-2287157-A1 METHOD FOR OBTAINING CINATRINS C3 AND C1 Consejo Superior de Investigaciones Cientificas (ES) 2011-02-23 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-20110275838-A1 METHOD FOR OBTAINING CINATRINS C3 AND C1 C3AR1, CPA3, CYP21A2 ZDHHC7 1313/4885CA2 556/4885CA1 392/4885

“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.