Sugi Predict

Sugi Predict / Compounds / SCHEMBL5560875

SCHEMBL5560875

SCHEMBL5560875

CCCC(C)C(=O)OC=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRM1 P11229 1/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA1 P00915 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ NFKB1 P19838 2/20 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
SCHEMBL8058637 0.88 CA1 (0.44) SMN1; SMN2TDP1CA1TSHRCYP3A4
SCHEMBL3617251 0.84 CA1 (0.50) CA1FDPS
SCHEMBL28198656 0.84 CA1 (0.50) CA1FDPS
SCHEMBL4601896 0.83 BLM (0.36) ALDH1A1TDP1CA1TSHR
SCHEMBL9867845 0.83 SMN1; SMN2 (0.37) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL5722200 0.82 — —
SCHEMBL6910529 0.81 TSHR (0.36) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL27991625 0.80 HDAC1 (0.46) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
Ethane SCHEMBL20838520 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL27846784 0.77 FAAH (0.46) MEN1KMT2ACHRM1CYP3A4NPSR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014031226-A1 THE PRODUCTION OF NITROGEN COMPOUNDS FROM A METHANE CONVERSION PROCESS UOP LLC (US) 2014-02-27 — — WO claimed
CN-117577959-A Electrochemical device and electronic device 宁德新能源科技有限公司 2024-02-20 — — CN disclosed
WO-2014031226-A1 THE PRODUCTION OF NITROGEN COMPOUNDS FROM A METHANE CONVERSION PROCESS UOP LLC (US) 2014-02-27 — — WO disclosed
US-7202193-B2 Process for the carbonylation of an ethylenically unsaturated compound and catalyst therefore SHELL OIL COMPANY (US) 2007-04-10 — — US disclosed
EP-1383718-B1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS BV (NL) 2006-06-28 — — EP disclosed
US-20050090694-A1 Process for the carbonylation of an ethylenically unsaturated compound and catalyst therefore Mitsubishi Chemical UK Limited (GB) 2005-04-28 — — US disclosed
EP-1478463-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND CATALYST THEREFORE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-11-24 — — EP disclosed
US-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation DSM I.P. ASSETS B.V. (NL) 2004-07-15 — — US disclosed
EP-1383718-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP Assets B.V. (NL) 2004-01-28 — — EP disclosed
WO-2003070370-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND CATALYST THEREFORE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2003-08-28 — — WO disclosed
EP-1232008-B1 PROCESS TO SEPARATE A RHODIUM/PHOSPHITE LIGAND COMPLEX AND FREE PHOSPHITE LIGAND COMPLEX FROM A HYDROFORMYLATION MIXTURE DSM NV (NL) 2003-07-23 — — EP disclosed
US-20030018210-A1 Flux improvement by diluting the high boiler hydroformylation purge mixture with methylvalerate DSM N.V. (NL) 2003-01-23 — — US disclosed
WO-2002083605-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS B.V. (NL) 2002-10-24 — — WO disclosed
EP-1249439-A1 Continuous hydroformylation process DSM N.V. (NL) 2002-10-16 — — EP disclosed
EP-1232008-A1 PROCESS TO SEPARATE A RHODIUM/PHOSPHITE LIGAND COMPLEX AND FREE PHOSPHITE LIGAND COMPLEX FROM A HYDROFORMYLATION MIXTURE DSM N.V. (NL) 2002-08-21 — — EP disclosed
WO-2001037993-A1 PROCESS TO SEPARATE A RHODIUM/PHOSPHITE LIGAND COMPLEX AND FREE PHOSPHITE LIGAND COMPLEX FROM A HYDROFORMYLATION MIXTURE DSM N.V. (NL) 2001-05-31 — — WO disclosed
EP-1103303-A1 Process to separate a rhodium/phosphite ligand complex and free phosphite ligand complex from a hydroformylation mixture DSM N.V. (NL) 2001-05-30 — — EP disclosed
US-6030505-A IN A YIELD OF NOT LESS THAN 90% BY DISTILLATION OF A MIXTURE, OBTAINED FROM A PROCESS FOR THE HYDROFORMYLATION OF A 4-PENTENOIC ESTER USING LOW BOILER ISOMER AND DEPRESSURIZED COLUMNS TO OBTAIN AN OVERHEAD OF HIGH PURITY BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 — — 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-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation VAPB, VAPA, MVD SMN1; SMN2 2453/4885MEN1 4075/4885ALDH1A1 343/4885
US-20050090694-A1 Process for the carbonylation of an ethylenically unsaturated compound and catalyst therefore CDK2, CCNA2, CBR1 SMN1; SMN2 3851/4885MEN1 3786/4885ALDH1A1 804/4885

“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.