SCHEMBL986645

SCHEMBL986645

CCOP(=S)(Oc1ccccc1)Oc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.45
LTA4H P09960 1/20 0.39
HPGD P15428 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2A6 P11509 1/20 0.37
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL24066284 0.94 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL1605192 0.85 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
Cyanofenphos SCHEMBL119236 0.82 MAOB (0.43) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL187567 0.82 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL27783007 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
Cyanofenphos SCHEMBL19032705 0.80 CA12 (0.41) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL10837632 0.79 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL11671789 0.78 CYP2A6 (0.39) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL26996910 0.76 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4MAPK1HSD17B10
SCHEMBL24066282 0.76 MAOB (0.42) ALDH1A1TSHRCYP3A4MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017738-B1 AN INSECTICIDAL AND MITICIDAL COMPOSITION WHICH CONTAINS A CARBAMATE AND AN ORGANIC PHOSPHORUS COMPOUND, AND A METHOD OF CONTROLLING INSECTS AND MITES THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-08 EP claimed
US-10426077-B2 Seed flow lubricant compositions and uses thereof 3 Star Ag LLC (US) 2019-10-01 US disclosed
US-20190124916-A1 PROTEIN-BASED FILM COATINGS AND USES THEREOF KAYNE ANDERSON PRIVATE CREDIT, LLC 2019-05-02 US disclosed
US-10227551-B2 Sulfur-containing compounds as solvents NOVUS INTERNATIONAL, INC. (US) 2019-03-12 US disclosed
US-20190016675-A1 HYDROXY METHIONINE ANALOG FORMULATIONS SUITABLE FOR SPECIALTY CHEMICAL APPLICATIONS NOVUS INT INC (US) 2019-01-17 US disclosed
US-10106496-B2 Hydroxy methionine analog formulations suitable for specialty chemical applications NOVUS INTERNATIONAL, INC. (US) 2018-10-23 US disclosed
US-20170369434-A1 HYDROXY METHIONINE ANALOG FORMULATIONS SUITABLE FOR SPECIALTY CHEMICAL APPLICATIONS NOVUS INTERNATIONAL, INC. 2017-12-28 US disclosed
US-20170137756-A1 SULFUR-CONTAINING COMPOUNDS AS SOLVENTS NOVUS INTERNATIONAL, INC. 2017-05-18 US disclosed
US-20110098177-A1 METHODS AND COMPOSITIONS OF PLANT MICRONUTRIENTS NOVUS INTERNATIONAL INC. (US) 2011-04-28 US disclosed
US-20110020914-A1 METHODS FOR ENHANCING GROWTH OF ORGANISMS IN AN AQUEOUS GROWTH MEDIUM NOVUS INTERNATIONAL INC (US) 2011-01-27 US disclosed
US-5550115-A BLEND OF BIOLOGICALLY ACTIVE MATERIAL AND SOLID PHASE SURFACTANT; TREATMENT OF AGRICULTURAL SUBSTRATES HENKEL CORPORATION (US) 1996-08-27 US disclosed
EP-0508667-B1 Aqueous agricultural compositions, methods of making them and their use MONSANTO CO (US) 1996-06-05 EP disclosed
EP-0508667-A1 Aqueous agricultural compositions, methods of making them and their use MONSANTO COMPANY (US) 1992-10-14 EP disclosed
US-5118444-A Mixture of herbicide and amine-oxide surfactant WITCO CORPORATION (US) 1992-06-02 US disclosed
US-H303-H GLYCOSIDE-CONTAINING AGRICULTURAL TREATMENT COMPOSITION A. E. STALEY MANUFACTURING COMPANY (US) 1987-07-07 US disclosed
US-4512989-A IMIDOESTERS OR IMIDOTHIOESTERS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-23 US disclosed
EP-0017738-B1 AN INSECTICIDAL AND MITICIDAL COMPOSITION WHICH CONTAINS A CARBAMATE AND AN ORGANIC PHOSPHORUS COMPOUND, AND A METHOD OF CONTROLLING INSECTS AND MITES THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-08 EP disclosed
US-4391804-A Imidazole derivatives and fungicidal composition containing the same HOKKO CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1983-07-05 US disclosed
US-4324781-A N-METHYL- OR N-PHENYLCARBAMATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-13 US disclosed
EP-0017738-A1 An insecticidal and miticidal composition which contains a carbamate and an organic phosphorus compound, and a method of controlling insects and mites therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-29 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 (5 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-10227551-B2 Sulfur-containing compounds as solvents TST, CBS, MPST ALDH1A1 1804/4885TSHR 4705/4885CYP3A4 1479/4885
US-20190016675-A1 HYDROXY METHIONINE ANALOG FORMULATIONS SUITABLE FOR SPECIALTY CHEMICAL APPLICATIONS BHMT2, SHMT1, CTH ALDH1A1 657/4885TSHR 1606/4885CYP3A4 366/4885
US-20170369434-A1 HYDROXY METHIONINE ANALOG FORMULATIONS SUITABLE FOR SPECIALTY CHEMICAL APPLICATIONS BHMT2, SHMT1, CTH ALDH1A1 657/4885TSHR 1606/4885CYP3A4 366/4885
US-20110098177-A1 METHODS AND COMPOSITIONS OF PLANT MICRONUTRIENTS SLC5A6, NUDT5, SLC39A3 ALDH1A1 2237/4885TSHR 4022/4885CYP3A4 1633/4885
US-10106496-B2 Hydroxy methionine analog formulations suitable for specialty chemical applications BHMT2, SHMT1, CTH ALDH1A1 657/4885TSHR 1606/4885CYP3A4 366/4885

“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.