SCHEMBL988375

SCHEMBL988375

CC(C(=O)O)C1=CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.39
PTGS2 P35354 11/20 0.39
KMT2A Q03164 2/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
MT-CO1 P00395 1/20 0.37
MT-CO2 P00403 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL11615938 0.98 PTGS1 (0.38) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL9623341 0.94 PTGS1 (0.36) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL28290161 0.82 EPHX1 (0.37) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL4119359 0.81 KMT2A (0.36) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL3986854 0.80 HDAC2 (0.36) MAPK1HDAC4HDAC2HDAC8HDAC6
SCHEMBL2919621 0.79 HDAC4 (0.39) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL10171591 0.78 HDAC4 (0.38) KMT2AMAPK1HDAC4HDAC2HDAC8
SCHEMBL11580295 0.77 PTGS1 (0.35) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL4734441 0.77 GSTP1 (0.37) HDAC4HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL4734438 0.77 GSTP1 (0.37) HDAC4HDAC2HDAC8HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573287-B1 Heat transfer fluid corrosion inhibitors TEXACO CHEMICAL (US) 1995-08-23 EP claimed
EP-0573287-A1 Heat transfer fluid corrosion inhibitors TEXACO DEVELOPMENT CORPORATION (US) 1993-12-08 EP claimed
US-5242621-A Antifreezes with storage stability TEXACO CHEMICAL CO. (US) 1993-09-07 US claimed
CN-111566116-A Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same 基础科学研究院 2020-08-21 CN disclosed
US-9832996-B2 Use of sarmentine and its analogues with an herbicide, and compositions thereof MARRONE BIO INNOVATIONS, INC. (US) 2017-12-05 US disclosed
US-20170196222-A9 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof PRO FARM GROUP, INC. 2017-07-13 US disclosed
EP-2710892-B1 Use of sarmentine and its analogs for controlling weeds MARRONE BIO INNOVATIONS INC (US) 2016-12-14 EP disclosed
US-20160212999-A1 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof MARRONE BIO INNOVATIONS INC (US) 2016-07-28 US disclosed
US-9179675-B2 Use of sarmentine and its analogs for controlling plant pests MARRONE BIO INNOVATIONS, INC. (US) 2015-11-10 US disclosed
US-20150111749-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS PRO FARM GROUP, INC. 2015-04-23 US disclosed
US-8957000-B2 Use of sarmentine and its analogs for controlling plant pests MARRONE BIO INNOVATIONS, INC. (US) 2015-02-17 US disclosed
US-7384903-B2 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY (US) 2008-06-10 US disclosed
US-20070225198-A1 Fabric care compositions and systems comprising organosilicone microemulsions and methods employing same PROCTER & GAMBLE COMPANY, THE 2007-09-27 US disclosed
EP-1313828-B1 FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2006-10-11 EP disclosed
US-6903061-B2 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY (US) 2005-06-07 US disclosed
US-20020103094-A1 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY 2002-08-01 US disclosed
EP-0167265-B1 Method of repelling insects COULSTON INT CORP (US) 1995-12-20 EP disclosed
EP-0666027-A1 Method of repelling insects COULSTON INTERNATIONAL CORPORATION (US) 1995-08-09 EP disclosed
US-4663346-A Insect repellent ANGUS CHEMICAL COMPANY (US) 1987-05-05 US disclosed
EP-0167265-A1 Method of repelling insects COULSTON INTERNATIONAL CORPORATION (US) 1986-01-08 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-20160212999-A1 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX PTGS1 4279/4885PTGS2 4416/4885KMT2A 1241/4885
US-20170196222-A9 Use of Sarmentine and Its Analogues With an Herbicide, and Compositions Thereof DDT, SRM, SMOX PTGS1 4279/4885PTGS2 4416/4885KMT2A 1241/4885
US-20150111749-A1 USE OF SARMENTINE AND ITS ANALOGS FOR CONTROLLING PLANT PESTS SARM1, SMOX, STOM PTGS1 4693/4885PTGS2 4767/4885KMT2A 1428/4885

“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.