Sugi Predict

Sugi Predict / Compounds / SCHEMBL715172

SCHEMBL715172

SCHEMBL715172

CCCCC(CC)CNCC(NCC(CC)CCCC)n1nnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP4Z1 Q86W10 5/20 0.44
▸ TSHR P16473 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SLC9A1 P19634 6/20 0.41
▸ POLB P06746 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ASAH1 Q13510 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MGAM O43451 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GLA P06280 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
SCHEMBL28194460 0.85 CYP4Z1 (0.47) ALDH1A1KDM4ECYP4Z1TSHRCYP3A4
SCHEMBL238664 0.82 SLC9A1 (0.54) ALDH1A1KDM4ECYP4Z1TSHRCYP3A4
SCHEMBL909898 0.81 SLC9A1 (0.60) ALDH1A1KDM4ECYP4Z1TSHRCYP3A4
SCHEMBL28194439 0.79 CYP4Z1 (0.45) ALDH1A1KDM4ECYP4Z1SLC9A1POLB
SCHEMBL30075474 0.79 SLC9A1 (0.55) ALDH1A1KDM4ECYP4Z1TSHRCYP3A4
SCHEMBL2245120 0.79 SLC9A1 (0.55) ALDH1A1KDM4ECYP4Z1TSHRCYP3A4
SCHEMBL30882113 0.76 CYP4Z1 (0.68) ALDH1A1KDM4ECYP4Z1TSHRCYP3A4
SCHEMBL28514158 0.76 CYP4Z1 (0.68) ALDH1A1KDM4ECYP4Z1TSHRCYP3A4
SCHEMBL30545219 0.75 CYP4Z1 (0.46) ALDH1A1KDM4ECYP4Z1CYP3A4SLC9A1
SCHEMBL3931116 0.75 CYP4Z1 (0.46) ALDH1A1KDM4ECYP4Z1CYP3A4SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795414-B2 Metalworking fluid containing a branched alcohol propoxylate BASF SE 2023-10-24 — — US disclosed
US-20220162514-A1 METALWORKING FLUID CONTAINING A BRANCHED ALCOHOL PROPOXYLATE BASF SE (DE) 2022-05-26 — — US disclosed
CN-113677781-A Metalworking fluids containing branched alcohol propoxylates 巴斯夫欧洲公司 2021-11-19 — — CN disclosed
EP-1730101-B1 ALKYLATED PANA AND DPA COMPOSITIONS BASF SE (DE) 2015-11-18 — — EP disclosed
US-20120051965-A1 N-ACYLSARCOSINE COMPOSITIONS BASF SE (DE) 2012-03-01 — — US disclosed
EP-2396395-A1 N-ACYLSARCOSINE COMPOSITIONS BASF SE (DE) 2011-12-21 — — EP disclosed
US-8030259-B2 Antioxidant; heat resistance; photostability mixture; stabilization of material CIBA SPECIALITY CHEMICALS CORP. (US) 2011-10-04 — — US disclosed
WO-2010092010-A1 N-ACYLSARCOSINE COMPOSITIONS BASF SE (DE) 2010-08-19 — — WO disclosed
US-20100022425-A1 Corrosion Inhibiting Composition For Non-Ferrous Metals CIBA CORPORATION 2010-01-28 — — US disclosed
US-20090105102-A1 Benzotriazole Compositions CIBA SPECIALTY CHEMICALS CORP. 2009-04-23 — — US disclosed
EP-1833953-A1 BENZOTRIAZOLE COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2007-09-19 — — EP disclosed
EP-1730101-A1 ALKYLATED PANA AND DPA COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2006-12-13 — — EP disclosed
US-20060116301-A1 Liquid phenolic sulphur-containing antioxidants CIBA SPECIALTY CHEMICALS CORP. 2006-06-01 — — US disclosed
WO-2006053858-A1 BENZOTRIAZOLE COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-05-26 — — WO disclosed
US-7026438-B2 Liquid phenolic sulphur-containing antioxidants CIBA SPECIALTY CHEMICALS CORP. (US) 2006-04-11 — — US disclosed
WO-2005097728-A1 ALKYLATED PANA AND DPA COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-20 — — WO disclosed
EP-1567536-A1 LIQUID PHENOLIC SULPHUR-CONTAINING ANTIOXIDANTS Ciba SC Holding AG (CH) 2005-08-31 — — EP disclosed
US-20040267042-A1 Liquid phenolic sulphur-containing antioxidants CIBA SPECIALTY CHEMICALS CORP. 2004-12-30 — — US disclosed
WO-2004050671-A1 LIQUID PHENOLIC SULPHUR-CONTAINING ANTIOXIDANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-06-17 — — WO disclosed
WO-2003004476-A1 AMINOALKYL-SUBSTITUTED BENZOTRIAZOLES AND TRIAZOLES AS METAL DEACTIVATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 — — WO 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-20040267042-A1 Liquid phenolic sulphur-containing antioxidants TST, COMT, GPX4 ALDH1A1 220/4885KDM4E 397/4885CYP4Z1 1990/4885
US-20060116301-A1 Liquid phenolic sulphur-containing antioxidants TST, COMT, SOD1 ALDH1A1 199/4885KDM4E 456/4885CYP4Z1 1949/4885

“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.