Sugi Predict

Sugi Predict / Compounds / SCHEMBL8878992

SCHEMBL8878992

SCHEMBL8878992

CC(C)(N)CCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ SIGMAR1 Q99720 3/20 0.43
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ METAP1 P53582 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.33

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
SCHEMBL1678187 0.87 — —
SCHEMBL9206930 0.86 CYP1A2 (0.54) CYP1A2SIGMAR1POLBGAAHPGD
SCHEMBL9377480 0.84 SIGMAR1 (0.54) CYP1A2SIGMAR1POLBGAA
Hydrochloric Acid SCHEMBL10451788 0.81 SIGMAR1 (0.55) CYP1A2SIGMAR1
SCHEMBL9075139 0.79 CYP1A2 (0.46) CYP1A2SIGMAR1POLBGAAMETAP1
SCHEMBL17551757 0.79 CYP1A2 (0.41) CYP1A2SIGMAR1POLBGAAMETAP1
SCHEMBL22484358 0.79 CYP1A2 (0.50) CYP1A2SIGMAR1METAP1HPGD
SCHEMBL19645222 0.79 HRH3 (0.41) KDM4EMAPTKMT2A
SCHEMBL2779823 0.77 CYP1A2 (0.42) CYP1A2SIGMAR1POLBGAAMETAP1
SCHEMBL530897 0.77 CYP1A2 (0.42) CYP1A2SIGMAR1POLBGAAMETAP1

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
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-20 — — US disclosed
US-11091424-B2 Preparation of acetate compounds via a ketene compound BASF SE (DE) 2021-08-17 — — US disclosed
US-20200308094-A1 PREPARATION OF ACETATE COMPOUNDS VIA A KETENE COMPOUND BASF SE (DE) 2020-10-01 — — US disclosed
US-5672713-A Herbicidal and fungicidal substituted triazolinones BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 — — US disclosed
US-5516749-A Herbicidal and fungicidal substituted triazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-05-14 — — US disclosed
EP-0505819-A1 Substituted triazolinones BAYER AG (DE) 1992-09-30 — — 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 (3 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-20200308094-A1 PREPARATION OF ACETATE COMPOUNDS VIA A KETENE COMPOUND AKR1C2, KAT8, KAT5 CYP1A2 149/4885SIGMAR1 2323/4885POLB 2467/4885
US-11091424-B2 Preparation of acetate compounds via a ketene compound AKR1C2, KAT8, KAT5 CYP1A2 149/4885SIGMAR1 2323/4885POLB 2467/4885
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION AADAC, CAD, AOC1 CYP1A2 1648/4885SIGMAR1 2247/4885POLB 3772/4885

“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.