Sugi Predict

Sugi Predict / Compounds / SCHEMBL5379969

SCHEMBL5379969

SCHEMBL5379969

O=C(O)C#Cc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CTNNB1 P35222 1/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ GPR183 P32249 2/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 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
SCHEMBL25275941 0.87 ACACB (0.38) ALDH1A1MAPK1CTNNB1WNT3ASRD5A2
SCHEMBL5204866 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1CTNNB1WNT3ASRD5A2
SCHEMBL16329717 0.85 MEN1 (0.47) ALDH1A1MAPK1CTNNB1WNT3ASRD5A2
SCHEMBL14907918 0.81 MEN1 (0.51) ALDH1A1GPR183NPC1RAB9ASMN1; SMN2
SCHEMBL861568 0.77 RAB9A (0.52) ALDH1A1GPR183CYP3A4CYP1A2CYP2C19
SCHEMBL8288520 0.75 GPR183 (0.56) ALDH1A1GPR183CYP3A4CYP1A2CYP2C19
SCHEMBL10428826 0.75 ALDH1A1 (0.64) ALDH1A1MAPK1CTNNB1WNT3ASRD5A2
SCHEMBL11491058 0.74 MAOB (0.62) ALDH1A1MAPK1GPR183CYP3A4CYP1A2
SCHEMBL4656696 0.74 CYP3A4 (0.45) ALDH1A1MAPK1CYP3A4HSD17B10
SCHEMBL2156716 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1CYP3A4CYP1A2NPC1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196214-B2 Process for arylamine production XEROX CORPORATION (US) 2007-03-27 — — US claimed
US-20060111582-A1 Process for arylamine production XEROX CORPORATION (US) 2006-05-25 — — US claimed
US-20260000641-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (IMDAI) TERRAN BIOSCIENCES INC (US) 2026-01-01 — — US disclosed
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES INC (US) 2023-06-15 — — US disclosed
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES INC (US) 2023-06-15 — — US disclosed
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES INC (US) 2023-06-15 — — US disclosed
WO-2023081895-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES, INC. (US) 2023-05-11 — — WO disclosed
WO-2023081895-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) TERRAN BIOSCIENCES, INC. (US) 2023-05-11 — — WO disclosed
US-10202410-B2 Scaphopetalone analogs and their uses BRIGHAM YOUNG UNIVERSITY (US) 2019-02-12 — — US disclosed
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 — — US disclosed
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 — — US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060111582-A1 Process for arylamine production XEROX CORPORATION (US) 2006-05-25 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
US-20050001204-A1 Active masterbatch for production of CO2 generating masterbatch CO2 TECHNOLOGIES, INC. (US) 2005-01-06 — — US disclosed
WO-2004110876-A2 CO2 GENERATING ABSORBENT PADS CO2 TECHNOLOGIES, INC. (US) 2004-12-23 — — WO disclosed
US-20040247750-A1 CO2 generating absorbent pads CO2 TECHNOLOGIES, INC. 2004-12-09 — — US disclosed
US-6797235-B2 Device and methods for modifying an atmosphere CO2 TECHNOLOGIES, INC. 2004-09-28 — — US disclosed
WO-2004022112-A1 DEVICE AND METHODS FOR MODIFYING AN ATMOSPHERE CO2 TECHNOLOGIES, INC. (US) 2004-03-18 — — WO disclosed
US-20040047760-A1 Device and methods for modifying an atmosphere LONGER SHELF LIFE, LLC 2004-03-11 — — 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 (6 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-10202410-B2 Scaphopetalone analogs and their uses MUSK, SHBG, CYP17A1 ALDH1A1 217/4885MAPK1 4357/4885CTNNB1 3754/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885MAPK1 3389/4885CTNNB1 3358/4885
US-10196369-B2 Spirocyclic EBI2 modulators HAVCR2, BIRC2, ESR2 ALDH1A1 3796/4885MAPK1 2097/4885CTNNB1 1643/4885
US-20260000641-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (IMDAI) DRD2, HTR1D, DRD1 ALDH1A1 1746/4885MAPK1 1438/4885CTNNB1 651/4885
US-20060111582-A1 Process for arylamine production AOC2, UFM1, TYR ALDH1A1 1029/4885MAPK1 2706/4885CTNNB1 3892/4885
US-20230181521-A1 ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) ECI1, GDI2, GDI1 ALDH1A1 124/4885MAPK1 3452/4885CTNNB1 1134/4885

“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.