SCHEMBL18505803

SCHEMBL18505803

ClCCCCOc1c2cccc1Cc1cccc3c1OCCOCCOCCOCCOCCOc1c(cccc1Cc1cccc(c1OCCCCCl)C3)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.36
▸ GSTA1 P08263 5/20 0.34
▸ GSTP1 P09211 5/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ PTPRC P08575 4/20 0.31
▸ PTPN2 P17706 4/20 0.31
▸ PTPN1 P18031 4/20 0.31
▸ PTPRB P23467 4/20 0.31
▸ PTPN11 Q06124 4/20 0.31
▸ LMNA P02545 2/20 0.30
▸ CRHBP P24387 2/20 0.30
▸ CRHR2 Q13324 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ POLB P06746 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
SCHEMBL20121198 0.96 CD69 (0.34) CD69GSTA1GSTP1CYP2D6TSHR
SCHEMBL20121194 0.94 SMN1; SMN2 (0.42) CD69MTNR1ALMNACRHBPCRHR2
SCHEMBL20121197 0.90 SMN1; SMN2 (0.40) MTNR1ALMNACRHBPCRHR2SMN1; SMN2
SCHEMBL14093080 0.88 CD69 (0.34) CD69SMN1; SMN2
SCHEMBL18505802 0.87 CD69 (0.36) CD69GSTA1GSTP1CYP2D6TSHR
SCHEMBL2626909 0.81 GSTA1 (0.43) GSTA1GSTP1MTNR1ALMNACRHBP
SCHEMBL2626904 0.81 GSTA1 (0.43) GSTA1GSTP1MTNR1ALMNACRHBP
SCHEMBL2626907 0.81 GSTA1 (0.43) GSTA1GSTP1MTNR1ALMNACRHBP
SCHEMBL20445405 0.81 — —
SCHEMBL13129398 0.76 CD69 (0.69) CD69TSHRPTPN1LMNA

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-20180215882-A1 SWELLABLE AND INSOLUBLE NANOFIBERS AND USE THEREOF IN THE TREATMENT OF ESSENTIALLY AQUEOUS EFFLUENTS AJELIS (FR) 2018-08-02 — — US disclosed
US-9966157-B2 Solid-liquid process for extraction of radionuclides from waste solutions COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-05-08 — — US disclosed
US-20170044142-A1 NOVEL COMPLEXES FOR THE SEPARATION OF CATIONS UNIVERSITE PARIS-SUD (FR) 2017-02-16 — — 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-20170044142-A1 NOVEL COMPLEXES FOR THE SEPARATION OF CATIONS PICALM, SOD1, MATR3 CD69 3498/4885GSTA1 4472/4885GSTP1 4658/4885

“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.

Send feedback