Sugi Predict

Sugi Predict / Compounds / SCHEMBL5854660

SCHEMBL5854660

SCHEMBL5854660

NCCCC(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.35
▸ ODC1 P11926 2/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA6 P23280 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ DNM1 Q05193 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
Hydrochloric Acid SCHEMBL23725770 0.97 LMNA (0.35) NFKB1ODC1CA12CA1CA2
SCHEMBL9931354 0.88 DNM1 (0.44) NFKB1CA12CA1CA2CA3
SCHEMBL21611877 0.82 ODC1 (0.32) NFKB1ODC1CA12CA1CA2
SCHEMBL933814 0.80 ODC1 (0.31) NFKB1ODC1FDPSPDE3A
SCHEMBL293730 0.80 — —
SCHEMBL5166905 0.80 ESR1 (0.33) —
SCHEMBL1217665 0.78 LMNA (0.32) ODC1LMNA
SCHEMBL5186970 0.78 LMNA (0.32) ODC1LMNA
SCHEMBL934591 0.78 LMNA (0.32) ODC1LMNA
SCHEMBL15404432 0.78 — —

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
CN-115820013-A Battery case, preparation method thereof, secondary battery and power utilization device 宁德时代新能源科技股份有限公司 2023-03-21 — — CN claimed
US-4085099-A AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-04-18 — — US claimed
CN-115820013-A Battery case, preparation method thereof, secondary battery and power utilization device 宁德时代新能源科技股份有限公司 2023-03-21 — — CN disclosed
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 — — US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 — — US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 — — US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 — — EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 — — WO disclosed
US-4085099-A AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-04-18 — — 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 NFKB1 301/4885ODC1 3561/4885CA12 3349/4885

“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.