SCHEMBL21020652

SCHEMBL21020652

c1ccc(COCC2OC(Sc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ NT5E P21589 1/20 0.45
▸ TACR2 P21452 2/20 0.44
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44
▸ PTPN1 P18031 7/20 0.42
▸ CDC25B P30305 6/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ PTPN2 P17706 3/20 0.42
▸ PTPN11 Q06124 3/20 0.42
▸ PTPN6 P29350 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GJB2 P29033 1/20 0.41

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
SCHEMBL24645797 1.00 HTR1A (0.48) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL1170781 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL8137175 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL18464593 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL16237994 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL1029965 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL5515020 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL14429227 0.99 HTR1A (0.47) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL7027519 0.90 SSTR4 (0.44) HTR1ANT5ETACR2SSTR1SSTR2
SCHEMBL5688991 0.90 SSTR4 (0.47) HTR1ANT5ETACR2SSTR1SSTR2

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
EP-3053875-B1 FLUORINATING AGENT DAIKIN IND LTD (JP) 2022-09-28 — — EP disclosed
US-10479681-B2 Fluorinating agent DAIKIN INDUSTRIES, LTD. (JP) 2019-11-19 — — US disclosed
US-20190152779-A1 FLUORINATING AGENT DAIKIN INDUSTRIES, LTD. (JP) 2019-05-23 — — 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 (2 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-10479681-B2 Fluorinating agent AFF2, AFF4, AFF1 HTR1A 2823/4885NT5E 1875/4885TACR2 1505/4885
US-20190152779-A1 FLUORINATING AGENT AFF2, AFF4, AFF1 HTR1A 2823/4885NT5E 1875/4885TACR2 1505/4885

“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.

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